SCHEMBL4770058

SCHEMBL4770058

COc1ccc(-c2ccco2)cc1-c1ccc(NC(=O)c2ccncc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.56
ORAI1 Q96D31 1/20 0.56
LCLAT1 Q6UWP7 9/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
KLK7 P49862 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.45
PTPN7 P35236 1/20 0.45
MCL1 Q07820 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KCNMA1 Q12791 1/20 0.43

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
SCHEMBL4762606 0.85 STIM1 (0.56) STIM1ORAI1LCLAT1KMT2AMEN1
SCHEMBL1826761 0.84 STIM1 (0.64) STIM1ORAI1KMT2AMEN1ALDH1A1
SCHEMBL1825942 0.83 KCNMA1 (0.64) STIM1ORAI1KMT2AMEN1ALDH1A1
SCHEMBL1828278 0.83 ORAI1 (0.79) STIM1ORAI1MAPTCYP2C9HTT
SCHEMBL16363182 0.81 STIM1 (0.61) STIM1ORAI1KMT2AMEN1ALDH1A1
SCHEMBL4762548 0.81 STIM1 (0.56) STIM1ORAI1KMT2AMEN1ALDH1A1
SCHEMBL4762823 0.76 NPC1 (0.52) STIM1ORAI1KMT2AMEN1ALDH1A1
SCHEMBL8257714 0.75 IL2 (0.45) LCLAT1MCL1
SCHEMBL4762642 0.74 STIM1 (0.45) STIM1ORAI1CYP3A4CYP2C9CYP2C19
SCHEMBL8262166 0.74 ORAI1 (0.52) STIM1ORAI1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 EP claimed
EP-1846372-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2008-12-17 EP claimed
EP-1846372-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-24 EP claimed
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 WO claimed
US-20060173006-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 US claimed
EP-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 EP disclosed
EP-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 EP disclosed
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 US disclosed
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 US disclosed
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 US disclosed
US-8592486-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-11-26 US disclosed
US-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-09-06 US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 US disclosed
EP-1846372-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2008-12-17 EP disclosed
EP-1846372-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-24 EP disclosed
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 WO disclosed
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 WO disclosed
US-20060173006-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 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 (3 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-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 STIM1 2239/4885ORAI1 1677/4885LCLAT1 1054/4885
US-20060173006-A1 Compounds for inflammation and immune-related uses CXCL8, CCR8, CXCR2 STIM1 2239/4885ORAI1 1677/4885LCLAT1 1054/4885
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 STIM1 2239/4885ORAI1 1677/4885LCLAT1 1054/4885

“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.