SCHEMBL6169724

SCHEMBL6169724

CC(=O)c1ccc2[nH]c(C(=O)c3ccc(Cl)cc3)c(CC(=O)O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
PTGS2 P35354 8/20 0.46
PTGS1 P23219 5/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CNR1 P21554 1/20 0.44
MAP2 P11137 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6170413 0.90 KDM4E (0.60) KDM4EPTGS2MEN1ALDH1A1KMT2A
SCHEMBL6169844 0.88 MAPT (0.60) KDM4EPTGS2PTGS1MEN1ALDH1A1
SCHEMBL27531807 0.87 KDM4E (0.43) KDM4EPTGS2MEN1ALDH1A1KMT2A
SCHEMBL6168815 0.86 PTGS2 (0.61) KDM4EPTGS2PTGS1MEN1ALDH1A1
SCHEMBL6168700 0.85 PTGS2 (0.58) KDM4EPTGS2PTGS1CNR1
SCHEMBL6170753 0.85 PTGS2 (0.61) KDM4EPTGS2PTGS1MEN1ALDH1A1
SCHEMBL6169174 0.85 PTGS2 (0.61) KDM4EPTGS2PTGS1MEN1ALDH1A1
SCHEMBL6169149 0.85 KDM4E (0.61) KDM4EPTGS2PTGS1MEN1ALDH1A1
SCHEMBL6169691 0.82 PTGS2 (0.56) KDM4EPTGS2PTGS1MEN1ALDH1A1
SCHEMBL6170573 0.82 KDM4E (0.52) KDM4EPTGS2PTGS1MEN1KMT2A

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 KDM4E 2388/4885PTGS2 27/4885PTGS1 32/4885

“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.