SCHEMBL2600801

SCHEMBL2600801

COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 1.00
AKR1C2 P52895 8/20 1.00
LMNA P02545 2/20 0.85
CYP1A2 P05177 2/20 0.85
CYP2D6 P10635 2/20 0.85
CYP2C9 P11712 2/20 0.85
HIF1A Q16665 2/20 0.85
NPSR1 Q6W5P4 2/20 0.85
TSHR P16473 1/20 0.85
NFKB1 P19838 1/20 0.85
PTGS2 P35354 3/20 0.83
AKR1C4 P17516 2/20 0.83
AKR1C1 Q04828 2/20 0.83
ABCB1 P08183 2/20 0.83
MAPT P10636 2/20 0.83
KDM4E B2RXH2 1/20 0.83
MEN1 O00255 1/20 0.83
PTGES O14684 1/20 0.83
ABCC3 O15438 1/20 0.83
ABCC4 O15439 1/20 0.83

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8645594 0.95 AKR1C3 (1.00) AKR1C3AKR1C2LMNACYP1A2CYP2D6
SCHEMBL12747878 0.92 AKR1C3 (0.89) AKR1C3AKR1C2LMNACYP1A2CYP2D6
SCHEMBL1082631 0.92 HIF1A (1.00) AKR1C3AKR1C2LMNACYP1A2CYP2D6
SCHEMBL11471705 0.91 AKR1C3 (0.87) AKR1C3AKR1C2LMNACYP1A2CYP2D6
Iodoindomethacin SCHEMBL13290295 0.91 AKR1C3 (0.87) AKR1C3AKR1C2LMNACYP1A2CYP2D6
Indomethacin SCHEMBL3518614 0.91 PTGS2 (1.00) AKR1C3AKR1C2LMNACYP1A2CYP2D6
Indomethacin SCHEMBL29525957 0.91 PTGS2 (1.00) AKR1C3AKR1C2LMNACYP1A2CYP2D6
SCHEMBL5796934 0.91 AKR1C3 (1.00) AKR1C3AKR1C2LMNACYP1A2CYP2D6
Indomethacin SCHEMBL9300 0.91 PTGS2 (1.00) AKR1C3AKR1C2LMNACYP1A2CYP2D6
Indomethacin SCHEMBL29353712 0.91 PTGS2 (1.00) AKR1C3AKR1C2LMNACYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11738004-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2023-08-29 US disclosed
US-11738004-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2023-08-29 US disclosed
US-20210251960-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY (US) 2021-08-19 US disclosed
US-20190350903-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY (US) 2019-11-21 US disclosed
US-10398678-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2019-09-03 US disclosed
EP-3078374-B1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER UNIV VANDERBILT (US) 2019-06-19 EP disclosed
US-9895351-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2018-02-20 US disclosed
US-9895351-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2018-02-20 US disclosed
US-20170315127-A1 TREATMENT OF METASTATIC PROSTATE CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-02 US disclosed
US-20160303082-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY 2016-10-20 US disclosed
US-20140371261-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-12-18 US disclosed
US-20140088122-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) PRANA BIOTECHNOLOGY LIMITED (AU) 2014-03-27 US disclosed
US-20140073611-A1 METHODS FOR DRUG SCREEN USING ZEBRAFISH MODEL AND THE COMPOUNDS SCREENED THEREFROM NATIONAL TAIWAN UNIVERSITY (TW) 2014-03-13 US disclosed
US-20130172374-A1 SOLID COMPOSITION FOR CONTROLLED RELEASE OF IONIZABLE ACTIVE AGENTS WITH POOR AQUEOUS SOLUBILITY AT LOW PH AND METHODS OF USE THEREOF PORTOLA PHARMACEUTICALS, INC. (US) 2013-07-04 US disclosed
WO-2013059245-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY (US) 2013-04-25 WO disclosed
US-8163806-B2 Controlled release of biologically active compounds from multi-armed oligomers BEZWADA BIOMEDICAL, LLC (US) 2012-04-24 US disclosed
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 US disclosed
US-20120010284-A1 CONTROLLED RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2012-01-12 US disclosed
US-20100151019-A1 SOLID COMPOSITION FOR CONTROLLED RELEASE OF IONIZABLE ACTIVE AGENTS WITH POOR AQUEOUS SOLUBILITY AT LOW pH AND METHODS OF USE THEREOF PORTOLA PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2007118276-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION(AMD) PRANA BIOTECHNOLOGY LTD (AU) 2007-10-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190350903-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 AKR1C3 1/4885AKR1C2 4/4885LMNA 2546/4885
US-20100151019-A1 SOLID COMPOSITION FOR CONTROLLED RELEASE OF IONIZABLE ACTIVE AGENTS WITH POOR AQUEOUS SOLUBILITY AT LOW pH AND METHODS OF USE THEREOF CASR, TAS2R31, TAS2R45 AKR1C3 1263/4885AKR1C2 1916/4885LMNA 1481/4885
US-11738004-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer AKR1C3, AKR1C4, AKR1C1 AKR1C3 1/4885AKR1C2 4/4885LMNA 2546/4885
US-20140088122-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) ALDH1A2, AGER, PDE6C AKR1C3 588/4885AKR1C2 1372/4885LMNA 400/4885
US-20170315127-A1 TREATMENT OF METASTATIC PROSTATE CANCER AR, AKR1C3, AKR1C4 AKR1C3 2/4885AKR1C2 4/4885LMNA 3095/4885
US-10398678-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer AKR1C3, AKR1C4, AKR1C1 AKR1C3 1/4885AKR1C2 4/4885LMNA 2546/4885
US-20130172374-A1 SOLID COMPOSITION FOR CONTROLLED RELEASE OF IONIZABLE ACTIVE AGENTS WITH POOR AQUEOUS SOLUBILITY AT LOW PH AND METHODS OF USE THEREOF CASR, TAS2R31, TAS2R45 AKR1C3 1263/4885AKR1C2 1916/4885LMNA 1481/4885
US-20140073611-A1 METHODS FOR DRUG SCREEN USING ZEBRAFISH MODEL AND THE COMPOUNDS SCREENED THEREFROM PLOD3, MYOC, SLTM AKR1C3 3143/4885AKR1C2 2603/4885LMNA 72/4885
US-20120010284-A1 CONTROLLED RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS MME, AADAC, LGMN AKR1C3 1454/4885AKR1C2 1709/4885LMNA 1047/4885
US-20140371261-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 AKR1C3 1/4885AKR1C2 4/4885LMNA 2306/4885
US-20210251960-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 AKR1C3 1/4885AKR1C2 4/4885LMNA 2546/4885
US-20160303082-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 AKR1C3 1/4885AKR1C2 4/4885LMNA 2546/4885
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS AKR1C3 3710/4885AKR1C2 3372/4885LMNA 1375/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.