SCHEMBL5034922

SCHEMBL5034922

CCC(=O)Nc1ccc(-c2cc(-c3nccs3)ccc2Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.50
▸ PORCN Q9H237 3/20 0.48
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ RGS12 O14924 1/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ PLG P00747 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
SCHEMBL5030678 0.91 ADORA2A (0.52) ADORA2APORCNPTGDR2MAPTNPC1
SCHEMBL5127917 0.87 ADORA2A (0.51) ADORA2APORCNPTGDR2MAPTRGS12
SCHEMBL5034918 0.87 PORCN (0.52) ADORA2APORCNPTGDR2MAPTRGS12
SCHEMBL5030737 0.87 ADORA2A (0.51) ADORA2APORCNPTGDR2MAPTRGS12
SCHEMBL5033046 0.86 ADORA2A (0.50) ADORA2APORCNPTGDR2MAPTRGS12
SCHEMBL5028499 0.84 PTGDR2 (0.54) ADORA2APORCNPTGDR2MAPTRGS12
SCHEMBL5030677 0.84 ADORA2A (0.50) ADORA2APORCNPTGDR2NPC1RAB9A
SCHEMBL5034923 0.82 TGM2 (0.45) PORCNPTGDR2CHEK2LMNAHDAC2
SCHEMBL5031519 0.79 ADORA2A (0.53) ADORA2APORCNPTGDR2MAPTNPC1
SCHEMBL5028509 0.79 ADORA2A (0.53) ADORA2APORCNPTGDR2MAPTNPC1

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-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 — — US claimed
EP-1998612-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-10 — — EP claimed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 — — US claimed
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 — — WO claimed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 — — US disclosed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 — — US disclosed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 — — US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 — — US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 — — US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 — — US disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 — — US disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 — — US disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 — — US 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 (2 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-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses CCR1, CCR3, CXCR2 ADORA2A 229/4885PORCN 4177/4885PTGDR2 1024/4885
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CXCR2 ADORA2A 229/4885PORCN 4177/4885PTGDR2 1024/4885

“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.

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