SCHEMBL3240332

SCHEMBL3240332

COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.75
AKR1C2 P52895 7/20 0.75
PTGS2 P35354 6/20 0.75
HIF1A Q16665 4/20 0.75
LMNA P02545 3/20 0.75
CYP1A2 P05177 3/20 0.75
CYP2C9 P11712 3/20 0.75
PTGS1 P23219 3/20 0.75
CYP2D6 P10635 2/20 0.75
NPSR1 Q6W5P4 2/20 0.75
AKR1C4 P17516 2/20 0.75
AKR1C1 Q04828 2/20 0.75
ABCB1 P08183 2/20 0.75
GLO1 Q04760 2/20 0.75
MEN1 O00255 2/20 0.75
MAPT P10636 2/20 0.75
PMP22 Q01453 2/20 0.75
KMT2A Q03164 2/20 0.75
KDM4E B2RXH2 1/20 0.75
PTGES O14684 1/20 0.75

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
SCHEMBL29454968 1.00 AKR1C3 (0.75) AKR1C3AKR1C2PTGS2HIF1ALMNA
SCHEMBL3240118 0.91 HIF1A (0.72) AKR1C3AKR1C2PTGS2HIF1ALMNA
SCHEMBL14280741 0.88 AKR1C3 (0.84) AKR1C3AKR1C2PTGS2HIF1ALMNA
Indomethacin SCHEMBL9300 0.86 PTGS2 (1.00) AKR1C3AKR1C2PTGS2HIF1ALMNA
Indomethacin SCHEMBL29525957 0.86 PTGS2 (1.00) AKR1C3AKR1C2PTGS2HIF1ALMNA
Indomethacin SCHEMBL29353712 0.86 PTGS2 (1.00) AKR1C3AKR1C2PTGS2HIF1ALMNA
Indomethacin SCHEMBL3518614 0.86 PTGS2 (1.00) AKR1C3AKR1C2PTGS2HIF1ALMNA
Indomethacin SCHEMBL23391006 0.85 PTGS2 (0.98) AKR1C3AKR1C2PTGS2HIF1ALMNA
Indomethacin SCHEMBL1817813 0.85 PTGS2 (0.98) AKR1C3AKR1C2PTGS2HIF1ALMNA
Indomethacin SCHEMBL6554617 0.85 PTGS2 (0.98) AKR1C3AKR1C2PTGS2HIF1ALMNA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350093-B2 Degradable implantable medical devices ELIXIR MEDICAL CORPORATION (US) 2019-07-16 US claimed
EP-1390026-B1 TREATMENT OF HPV CAUSED DISEASES CORNELL RES FOUNDATION INC (US) 2010-05-05 EP claimed
US-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-04 US claimed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
US-20200188142-A1 DEGRADABLE IMPLANTABLE MEDICAL DEVICES ELIXIR MEDICAL CORPORATION (US) 2020-06-18 US disclosed
US-10350093-B2 Degradable implantable medical devices ELIXIR MEDICAL CORPORATION (US) 2019-07-16 US disclosed
US-7041694-B1 Cyclooxygenase-2 inhibition CORNELL RESEARCH FOUNDATION, INC. (US) 2006-05-09 US disclosed
US-20050100594-A1 Pharmaceutical formulation containing muscle relaxant and COX-II inhibitor GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-05-12 US disclosed
US-20050096371-A1 Topical pharmaceutical compositions GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-05-05 US disclosed
US-20040204413-A1 Pharmaceutical compositions containing a COX-II inhibitor and a muscle relaxant OSMOTICA CORP. (VG) 2004-10-14 US disclosed
US-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-04 US disclosed
EP-1362585-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING A COX-II INHIBITOR AND A MUSCLE RELAXANT Osmotica Corp. (VG) 2003-11-19 EP disclosed
US-6486203-B1 Treating inflammatory diseases of the head and neck with cyclooxygenase-2 inhibitors CORNELL RESEARCH FOUNDATION, INC. 2002-11-26 US disclosed
US-6403630-B1 ADMINISTERING A CYCLOOXYGENASE-2 (COX-2) INHIBITOR ALONE OR IN COMBINATION WITH HERCEPTIN? ANTIBODY; USED TO TREAT BREAST CANCER CORNELL RESEARCH FOUNDATION, INC. 2002-06-11 US disclosed
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 EP disclosed
WO-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed
US-5436265-A Analgesics or antipyretics MERCK FROSST CANADA, INC. (CA) 1995-07-25 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 (1 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-20030225054-A1 Combined use of tace inhibitors and COX2 inhibitors as anti-inflammatory agents TNF, PTGS1, MIF AKR1C3 795/4885AKR1C2 746/4885PTGS2 4/4885

“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.