SCHEMBL6168282

SCHEMBL6168282

COc1ccc2[nH]c(C(=O)c3cccc(C)c3)c(CC(=O)O)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.68
PTGS1 P23219 5/20 0.68
AKR1C2 P52895 3/20 0.62
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HIF1A Q16665 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL6170120 0.84 MAPT (0.52) PTGS2PTGS1KDM4EALDH1A1LMNA
SCHEMBL8140742 0.83 MEN1 (0.48) PTGS2PTGS1AKR1C2KDM4EALDH1A1
SCHEMBL6169174 0.82 PTGS2 (0.61) PTGS2PTGS1AKR1C2KDM4EALDH1A1
SCHEMBL29628842 0.81 KDM4E (0.76) PTGS2PTGS1AKR1C2KDM4EALDH1A1
SCHEMBL6169808 0.81 PTGS2 (1.00) PTGS2PTGS1AKR1C2KDM4EALDH1A1
SCHEMBL8140740 0.80 MEN1 (0.49) PTGS2PTGS1AKR1C2KDM4EALDH1A1
SCHEMBL6172246 0.80 KMT2A (0.45) PTGS2PTGS1AKR1C2KDM4EALDH1A1
SCHEMBL27569322 0.80 KMT2A (0.46) PTGS2PTGS1KDM4EALDH1A1HPGD
SCHEMBL8178056 0.80 KMT2A (0.55) PTGS2PTGS1AKR1C2KDM4EALDH1A1
SCHEMBL8174274 0.79 KDM4E (0.51) PTGS2PTGS1AKR1C2KDM4EALDH1A1

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
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP claimed
US-20050101653-A1 Combination therapy for the treatment of migraine SANDS GEORGE H (US) 2005-05-12 US claimed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US claimed
US-6555540-B1 Treatment of diabetic complications such as neuropathy, nephropathy, retinopathy and cardiomyopathy; for example zopolrestat and rofecoxib PFIZER INC 2003-04-29 US claimed
US-6476042-B1 Combination therapy for the treatment of migraine PFIZER INC. 2002-11-05 US claimed
CN-1284064-A 2,3-substituted indole compounds as cox-2 inhibitors PFIZER PHARMA (US) 2001-02-14 CN claimed
EP-1064965-A2 Combinations of aldose reductase inhibitors and selective cyclooxygenase-2 inhibitors Pfizer Products Inc. (US) 2001-01-03 EP claimed
EP-1064966-A2 Combination of an 5HT1 receptor antagonist, caffeine and a cyclooxygenase-2 inhibitor for the treatment of migraine Pfizer Products Inc. (US) 2001-01-03 EP claimed
EP-1051995-A2 5HT1 receptor agonists and a cox-2 inhibitor or NSAID for the treatment of migraine Pfizer Products Inc. (US) 2000-11-15 EP claimed
EP-1045833-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER INC. (US) 2000-10-25 EP claimed
WO-1999035130-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-15 WO claimed
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed
CN-1284064-A 2,3-substituted indole compounds as cox-2 inhibitors PFIZER PHARMA (US) 2001-02-14 CN disclosed
EP-1064965-A2 Combinations of aldose reductase inhibitors and selective cyclooxygenase-2 inhibitors Pfizer Products Inc. (US) 2001-01-03 EP disclosed
EP-1045833-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER INC. (US) 2000-10-25 EP disclosed
WO-1999035130-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-15 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 (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-20050101653-A1 Combination therapy for the treatment of migraine HTR1A, HTR2A, HTR1B PTGS2 27/4885PTGS1 32/4885AKR1C2 1980/4885

“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.