SCHEMBL6169934

SCHEMBL6169934

O=C(O)Cc1c(C(=O)c2cccc(OCc3ccccc3)c2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
NR4A2 P43354 3/20 0.50
SRD5A2 P31213 1/20 0.49
MCL1 Q07820 1/20 0.47
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45

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
SCHEMBL6168834 0.91 NR4A2 (0.47) PTGS2NR4A2SRD5A2MCL1MAOB
SCHEMBL6169364 0.90 PTGS2 (0.54) PTGS2SRD5A2MCL1RXRARXRB
SCHEMBL6170386 0.86 PTGS2 (0.53) PTGS2MCL1MEN1KMT2A
SCHEMBL6170150 0.84 PTGS2 (0.57) PTGS2
SCHEMBL6169769 0.84 PTGS2 (0.59) PTGS2
SCHEMBL6170134 0.83 PTGS2 (0.54) PTGS2
SCHEMBL8138735 0.83 MAOB (0.50) NR4A2SRD5A2MCL1MAOBMAOA
SCHEMBL7509871 0.82 MEN1 (0.51) NR4A2SRD5A2MCL1MAOBMAOA
SCHEMBL6170864 0.82 MDM2 (0.49) NR4A2SRD5A2MAOBMAOAMEN1
SCHEMBL6169367 0.81 PTGS2 (0.53) PTGS2SRD5A2MCL1

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 27/4885NR4A2 1509/4885SRD5A2 1736/4885

“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.