SCHEMBL6168634

SCHEMBL6168634

Cc1ccnc(C(=O)c2[nH]c3ccc(C(F)(F)F)cc3c2CC(=O)O)c1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.83
PTGS1 P23219 7/20 0.83
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
KIF11 P52732 2/20 0.43
EGFR P00533 1/20 0.40

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
SCHEMBL6169979 0.92 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL6170556 0.91 PTGS2 (1.00) PTGS2PTGS1KDM4EMEN1ALDH1A1
SCHEMBL27554775 0.89 PTGS2 (0.67) PTGS2PTGS1MEN1KMT2AKIF11
SCHEMBL6170446 0.88 PTGS2 (0.83) PTGS2PTGS1KDM4EMEN1ALDH1A1
SCHEMBL6169961 0.88 PTGS2 (0.76) PTGS2PTGS1KDM4EMEN1KMT2A
SCHEMBL6170553 0.86 PTGS2 (1.00) PTGS2PTGS1KDM4EMEN1ALDH1A1
SCHEMBL6169141 0.85 PTGS2 (1.00) PTGS2PTGS1KDM4EMEN1ALDH1A1
SCHEMBL6169956 0.84 PTGS2 (0.77) PTGS2PTGS1KDM4EMEN1ALDH1A1
SCHEMBL6170439 0.83 PTGS2 (1.00) PTGS2PTGS1KDM4EMEN1ALDH1A1
SCHEMBL6170080 0.82 PTGS2 (0.74) PTGS2PTGS1KDM4EMEN1ALDH1A1

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 16 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
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
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.