SCHEMBL6168700

SCHEMBL6168700

O=C(O)Cc1c(C(=O)c2ccc(Cl)cc2)[nH]c2ccc(F)cc12

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.58
PTGS1 P23219 3/20 0.58
KDM4E B2RXH2 1/20 0.55
AKR1C3 P42330 3/20 0.53
AKR1C2 P52895 3/20 0.53
TSHR P16473 1/20 0.44
PTGDR Q13258 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
CNR1 P21554 1/20 0.42

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
SCHEMBL6171391 0.90 PTGS2 (0.58) PTGS2PTGS1KDM4EAKR1C3AKR1C2
SCHEMBL6170413 0.90 KDM4E (0.60) PTGS2KDM4ECNR1
SCHEMBL9017489 0.89 PTGS1 (0.61) PTGS2PTGS1KDM4ETSHR
SCHEMBL6170087 0.87 PTGS2 (0.55) PTGS2PTGS1KDM4EAKR1C3AKR1C2
SCHEMBL6169724 0.85 KDM4E (0.59) PTGS2PTGS1KDM4ECNR1
SCHEMBL6169844 0.85 MAPT (0.60) PTGS2PTGS1KDM4E
SCHEMBL6169391 0.85 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6170573 0.85 KDM4E (0.52) PTGS2PTGS1KDM4E
SCHEMBL6170704 0.84 PTGS2 (0.62) PTGS2PTGS1KDM4EAKR1C3AKR1C2
SCHEMBL6168815 0.83 PTGS2 (0.61) PTGS2PTGS1KDM4ECNR1

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 18 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
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 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 32/4885KDM4E 2388/4885

“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.