SCHEMBL5028435

SCHEMBL5028435

CCC(=O)Nc1ccc(-c2cc(C(=O)OC)ccc2Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
ADORA3 P0DMS8 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 2/20 0.43
ABL1 P00519 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 4/20 0.43
TP53 P04637 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADORA2B P29275 1/20 0.42
DEGS1 O15121 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL5034938 0.91 PIK3CD (0.48) PIK3CDADORA3SMN1; SMN2ALDH1A1NPC1
SCHEMBL5028489 0.87 ALDH1A1 (0.56) PIK3CDADORA3SMN1; SMN2ALDH1A1ABL1
SCHEMBL15681777 0.83 PIK3CD (0.49) PIK3CDADORA3SMN1; SMN2ABL1TDP1
SCHEMBL2818756 0.83 DEGS1 (0.57) SMN1; SMN2NPC1TP53RAB9AMAPT
SCHEMBL5030684 0.81 ABL1 (0.49) ALDH1A1ABL1NPC1RAB9A
SCHEMBL5034800 0.81 MEN1 (0.50) ADORA3ALDH1A1ABL1NPC1RAB9A
SCHEMBL8235132 0.81 PIK3CD (0.46) PIK3CDSMN1; SMN2ALDH1A1ABL1TDP1
SCHEMBL19151089 0.81 MAPK1 (0.54) SMN1; SMN2TSHRNPC1TP53RAB9A
SCHEMBL5031483 0.80 MEN1 (0.52) ADORA3SMN1; SMN2ALDH1A1ABL1NPC1
SCHEMBL2814273 0.79 NPC1 (0.58) ALDH1A1ABL1TDP1NPC1TP53

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
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-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
EP-1998612-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-10 EP 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
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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 (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 PIK3CD 3534/4885ADORA3 142/4885SMN1; SMN2 4836/4885
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CXCR2 PIK3CD 3534/4885ADORA3 142/4885SMN1; SMN2 4836/4885

“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.