SCHEMBL7012874

SCHEMBL7012874

O=C(O)c1ccc(COc2ccc([S+]([O-])Cc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.66
CYSLTR1 Q9Y271 7/20 0.58
FFAR1 O14842 1/20 0.53
AKR1B1 P15121 1/20 0.53
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
ALOX5 P09917 2/20 0.51
CYSLTR2 Q9NS75 1/20 0.50

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
SCHEMBL10422378 0.92 GPBAR1 (0.56) GPBAR1CYSLTR1FFAR1AKR1B1ALOX5
SCHEMBL9829523 0.87 GPBAR1 (0.51) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL7718896 0.85 GPBAR1 (0.90) GPBAR1CYSLTR1FFAR1AKR1B1ALOX5
SCHEMBL7457682 0.85 GPBAR1 (0.90) GPBAR1CYSLTR1FFAR1AKR1B1ALOX5
SCHEMBL10422379 0.83 GPBAR1 (0.45) GPBAR1CYSLTR1FFAR1AKR1B1ALOX5
SCHEMBL26771305 0.82 GPBAR1 (0.83) GPBAR1CYSLTR1FFAR1AKR1B1ALOX5
SCHEMBL9030812 0.81 GPBAR1 (0.50) GPBAR1CYSLTR1CYSLTR2
SCHEMBL9030803 0.81 GPBAR1 (0.50) GPBAR1CYSLTR1CYSLTR2
SCHEMBL421067 0.81 GPBAR1 (1.00) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL7007534 0.80 GPBAR1 (0.67) GPBAR1CYSLTR1FFAR1AKR1B1NR4A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220373-A1 Therapeutic uses of PPAR mediators AVENTIS PHARMACEUTICALS PRODUCTS INC. 2003-11-27 US disclosed
EP-1267874-A2 THERAPEUTIC USES OF PPAR MEDIATORS Aventis Pharma Deutschland GmbH (DE) 2003-01-02 EP disclosed
EP-1030665-A4 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARM PROD INC (US) 2002-11-27 EP disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
WO-2001066098-A2 THERAPEUTIC USES OF PPAR MEDIATORS AVENTIS PHARMA DEUTSCHLAND GMBH 2001-09-13 WO disclosed
CN-1302206-A Therapeutic uses of quinoline derivatives HOECHST MEDICINE PRODUCT CO (US) 2001-07-04 CN disclosed
EP-1030665-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999020275-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-04-29 WO disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed
EP-0315399-A2 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-05-10 EP 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-20030220373-A1 Therapeutic uses of PPAR mediators PPARG, PPARA, PPARD GPBAR1 15/4885CYSLTR1 297/4885FFAR1 43/4885

“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.