SCHEMBL5033848

SCHEMBL5033848

CCOC(=O)c1cc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c(C)s1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IL2 P60568 9/20 0.46
MAPK14 Q16539 1/20 0.46
TRPA1 O75762 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TNF P01375 1/20 0.43
STIM1 Q13586 1/20 0.43
ORAI1 Q96D31 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL2892068 0.90 IL2 (0.50) IL2MEN1KMT2ARAB9ATNF
SCHEMBL5029739 0.85 IL2 (0.50) IL2TRPA1MEN1KMT2APOLB
SCHEMBL13321603 0.85 IL2 (0.50) IL2TRPA1MEN1KMT2ARAB9A
SCHEMBL15268308 0.82 IL2 (0.52) IL2TRPA1MEN1KMT2APOLB
SCHEMBL15249599 0.82 IL2 (0.53) IL2TRPA1MEN1KMT2ATP53
SCHEMBL15079075 0.81 IL2 (0.46) IL2TRPA1MEN1KMT2ARAB9A
SCHEMBL13640608 0.81 IL2 (0.46) IL2MEN1KMT2AMAPTRAB9A
SCHEMBL13353965 0.79 IL2 (0.43) IL2TRPA1MEN1KMT2APOLB
SCHEMBL7918557 0.79 JAK2 (0.54) IL2MAPK14MEN1KMT2ARAB9A
SCHEMBL5027397 0.79 IL2 (0.51) IL2TRPA1MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US claimed
WO-2007087429-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-27 US disclosed
US-8314130-B2 Compounds inclunding substituted pyridines for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US disclosed
US-20100130510-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 US disclosed
EP-1983831-A2 PHENYL AND PYRIDYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-29 US disclosed
WO-2007087429-A2 PHENYL AND PYRIDYL 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 (4 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-20100130510-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885MAPK14 2736/4885TRPA1 91/4885
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885MAPK14 2736/4885TRPA1 91/4885
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses NLRP3, CCR1, NLRP1 IL2 55/4885MAPK14 2248/4885TRPA1 218/4885
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, NOD1 IL2 23/4885MAPK14 1830/4885TRPA1 123/4885

“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.