SCHEMBL3813031

SCHEMBL3813031

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

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.84
PTGS1 P23219 5/20 0.84
AKR1C3 P42330 2/20 0.84
MAPT P10636 2/20 0.84
KMT2A Q03164 2/20 0.84
GLO1 Q04760 2/20 0.84
HIF1A Q16665 2/20 0.84
NPSR1 Q6W5P4 2/20 0.84
KDM4E B2RXH2 1/20 0.84
MEN1 O00255 1/20 0.84
PTGES O14684 1/20 0.84
ABCC3 O15438 1/20 0.84
ABCC4 O15439 1/20 0.84
ABCB11 O95342 1/20 0.84
MT-CO2 P00403 1/20 0.84
LMNA P02545 1/20 0.84
ALB P02768 1/20 0.84
CYP1A2 P05177 1/20 0.84
ABCB1 P08183 1/20 0.84
ALOX5 P09917 1/20 0.84

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
SCHEMBL31211688 1.00 PTGS2 (0.84) PTGS2PTGS1AKR1C3MAPTKMT2A
SCHEMBL14886620 0.92 PTGS2 (0.82) PTGS2PTGS1AKR1C3MAPTKMT2A
Indomethacin SCHEMBL29353712 0.91 PTGS2 (1.00) PTGS2PTGS1AKR1C3MAPTKMT2A
Indomethacin SCHEMBL3518614 0.91 PTGS2 (1.00) PTGS2PTGS1AKR1C3MAPTKMT2A
Indomethacin SCHEMBL29525957 0.91 PTGS2 (1.00) PTGS2PTGS1AKR1C3MAPTKMT2A
SCHEMBL5534201 0.91 PTGS2 (0.84) PTGS2PTGS1AKR1C3MAPTKMT2A
SCHEMBL15774078 0.91 PTGS2 (0.84) PTGS2PTGS1AKR1C3MAPTKMT2A
SCHEMBL11563010 0.91 PTGS2 (0.84) PTGS2PTGS1AKR1C3MAPTKMT2A
Indomethacin SCHEMBL9300 0.91 PTGS2 (1.00) PTGS2PTGS1AKR1C3MAPTKMT2A
SCHEMBL14394799 0.91 PTGS2 (0.84) PTGS2PTGS1AKR1C3MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0047358-B1 INDOL ACETIC DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME A. Nattermann & Cie. GmbH (DE) 1984-09-19 EP claimed
EP-0047358-A1 Indol acetic derivatives, process for producing the same and pharmaceutical compositions comprising the same A. Nattermann & Cie. GmbH (DE) 1982-03-17 EP claimed
US-20230219886-A1 NOVEL SELENO-NSAID ANALOGS AND USES THEREOF THE PENN STATE RESEARCH FOUNDATION 2023-07-13 US disclosed
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 US disclosed
US-10570161-B2 Unique dual-action therapeutics RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-02-25 US disclosed
US-10450280-B2 Tetrazolones as a carboxylic acid bioisosteres RIGEL PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
EP-3250565-B1 TETRAZOLONES AS CARBOXYLIC ACID BIOISOSTERES RIGEL PHARMACEUTICALS INC (US) 2019-07-03 EP disclosed
US-9872846-B2 High penetration compositions and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2018-01-23 US disclosed
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2017-07-27 US disclosed
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF PREMIER RESEARCH INTERNATIONAL, LLC 2017-07-27 US disclosed
US-9701647-B2 Tetrazolones as a carboxylic acid bioisosteres RIGEL PHARMACEUTICALS, INC. (US) 2017-07-11 US disclosed
US-4532249-A Derivatives of p-acylaminophenol having a therapeutic action, and compositions having a therapeutic action containing said derivatives as pharmacologically active ingredients MOLNAR FRANCOIS (CH) 1985-07-30 US disclosed
EP-0047358-B1 INDOL ACETIC DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME A. Nattermann & Cie. GmbH (DE) 1984-09-19 EP disclosed
US-4464379-A Indol acetic acid derivatives and anti-inflamatory and related uses thereof A. NATTERMANN & CIE GMBH (DE) 1984-08-07 US disclosed
EP-0024282-B1 BENZOYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1983-05-18 EP disclosed
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 US disclosed
EP-0047358-A1 Indol acetic derivatives, process for producing the same and pharmaceutical compositions comprising the same A. Nattermann & Cie. GmbH (DE) 1982-03-17 EP disclosed
EP-0035412-A1 Amidotetrazole compounds and processes for their preparation GLAXO GROUP LIMITED (GB) 1981-09-09 EP disclosed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 EP disclosed
US-4136194-A ANTIINFLAMMATORY SPOFA, UNITED PHARMACEUTICAL WORKS (CS) 1979-01-23 US 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 (6 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-10450280-B2 Tetrazolones as a carboxylic acid bioisosteres GLS, CYP11B2, GLS2 PTGS2 2794/4885PTGS1 3346/4885AKR1C3 389/4885
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885PTGS1 4/4885AKR1C3 1079/4885
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885PTGS1 4/4885AKR1C3 1079/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885PTGS1 4/4885AKR1C3 1079/4885
US-10570161-B2 Unique dual-action therapeutics ACHE, PDE1A, PDE1C PTGS2 19/4885PTGS1 28/4885AKR1C3 272/4885
US-20230219886-A1 NOVEL SELENO-NSAID ANALOGS AND USES THEREOF SELENOI, SCLY, GPX1 PTGS2 14/4885PTGS1 5/4885AKR1C3 1586/4885

“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.