SCHEMBL4030635

SCHEMBL4030635

CS(=O)(=O)c1ccc(C(=O)c2ccc(F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.62
AKR1C2 P52895 1/20 0.59
AKR1C1 Q04828 1/20 0.59
AKR1C3 P42330 1/20 0.59
PTGS1 P23219 1/20 0.57
ESR2 Q92731 1/20 0.54

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
SCHEMBL4321082 0.89 ENPP2 (0.58) PTGS2AKR1C3
SCHEMBL6050635 0.88 CES2 (0.64) PTGS2AKR1C2AKR1C1AKR1C3ESR2
SCHEMBL7813896 0.87 PTGS2 (0.50) PTGS2AKR1C2AKR1C1AKR1C3PTGS1
SCHEMBL444872 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL5524425 0.83 LTA4H (0.55)
SCHEMBL9617501 0.83 LTA4H (0.55)
SCHEMBL6583948 0.83 PTGS2 (0.57) PTGS2AKR1C3
SCHEMBL7810450 0.83 PTGS2 (0.58) PTGS2AKR1C3PTGS1
Water SCHEMBL27918427 0.83 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL29983601 0.82 LTA4H (0.70) ESR2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100508978-C Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK & CO INC MERCK FROSST CA (US) 2009-07-08 CN disclosed
EP-1363635-B1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK & CO INC (US) 2009-04-15 EP disclosed
CN-1221534-C Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2005-10-05 CN disclosed
CN-1551769-A Substituted 8-arylquinoline phosphodiesterase-4 inhibitors 2004-12-01 CN disclosed
US-6740666-B2 FOR THERAPY OF ASTHMA, CHRONIC BRONCHITIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, EOSINOPHILIC GRANULOMA, PSORIASIS; SEPTIC SHOCK, ULCERATIVE COLITIS, CROHN'S DISEASE, REPERFUSION INJURY OF THE MYOCARDIUM AND BRAIN, INFLAMMATION MERCK & CO., INC. 2004-05-25 US disclosed
EP-1363635-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS Merck & Co., Inc. (US) 2003-11-26 EP disclosed
CN-1434801-A Substited 8-anylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2003-08-06 CN disclosed
US-20020143032-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2002-10-03 US disclosed
EP-1244628-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-10-02 EP disclosed
WO-2002069970-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK & CO., INC. (US) 2002-09-12 WO disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed
WO-2000014082-A1 DIARYLMETHYLIDENE FURAN DERIVATIVES AS DRUGS WITH ANTI-INFLAMMATORY, ANALGESIC AND CHEMOPREVENTIVE PROPERTIES LABORATORIES UPSA (FR) 2000-03-16 WO disclosed
EP-0915850-A1 NOVEL CARBOCYCLIC DIARYLMETHYLENE DERIVATIVES, METHODS FOR PREPARING SAME, AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1999-05-19 EP disclosed
EP-0891345-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1999-01-20 EP disclosed
US-5840753-A ANTIINFLAMMATORY AGENTS, ANALGESICS LABORATORIES UPSA (FR) 1998-11-24 US disclosed
US-5807873-A Diarylmethylidenefuran derivatives and their uses in therapeutics LABORATORIES UPSA (FR) 1998-09-15 US disclosed
WO-1998015528-A1 NOVEL DIARYLMETHYLENE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USES THEREOF LABORATOIRES UPSA (FR) 1998-04-16 WO disclosed
WO-1998005643-A1 NOVEL CARBOCYCLIC DIARYLMETHYLENE DERIVATIVES, METHODS FOR PREPARING SAME, AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1998-02-12 WO disclosed
US-5686460-A ANTIINFLAMMATORY AGENTS, ANALGESICS LABORATOIRES UPSA (FR) 1997-11-11 US disclosed
WO-1997037984-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1997-10-16 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-20020143032-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 PTGS2 429/4885AKR1C2 2292/4885AKR1C1 2360/4885

“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.