SCHEMBL2886416

SCHEMBL2886416

COC(=O)c1cc(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c(C)o1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IL2 P60568 14/20 0.52
TNF P01375 1/20 0.50
STIM1 Q13586 1/20 0.50
ORAI1 Q96D31 1/20 0.50
RAB9A P51151 3/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
HTT P42858 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL5027397 0.90 IL2 (0.51) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL5030848 0.88 IL2 (0.53) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL15249596 0.84 IL2 (0.56) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL8233602 0.81 IL2 (0.48) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL4769885 0.78 IL2 (0.65) IL2RAB9AMEN1KMT2ANPC1
SCHEMBL2892068 0.77 IL2 (0.50) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL5033824 0.76 IL2 (0.47) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL5030918 0.75 LMNA (0.48) STIM1ORAI1RAB9AKMT2AJAK2
SCHEMBL4031637 0.75 RAB9A (0.65) IL2RAB9AMEN1KMT2AJAK2
SCHEMBL5030750 0.74 IL2 (0.53) IL2TNFSTIM1ORAI1RAB9A

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 18 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
EP-2184994-B1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-09-25 EP disclosed
US-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-09-12 US disclosed
US-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-09-12 US disclosed
US-8435996-B2 Heterocycle-aryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-05-07 US disclosed
US-8435996-B2 Heterocycle-aryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-05-07 US disclosed
US-8435996-B2 Heterocycle-aryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-05-07 US disclosed
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-11 US disclosed
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-11 US disclosed
EP-2184994-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-19 EP disclosed
WO-2009017818-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 WO 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 (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-20130236481-A1 HETEROCYCLE -ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES AHR, NFATC1, ICOS IL2 6/4885TNF 146/4885STIM1 599/4885
US-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses NLRP3, CCR1, NLRP1 IL2 55/4885TNF 130/4885STIM1 1999/4885
US-20100286103-A1 HETEROCYCLE-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES AHR, NFATC1, ICOS IL2 6/4885TNF 146/4885STIM1 599/4885

“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.