SCHEMBL5032084

SCHEMBL5032084

Cc1cc(-c2ccno2)sc1-c1ccc(NC(=O)c2c(C)cncc2F)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 6/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
STIM1 Q13586 2/20 0.37
ORAI1 Q96D31 2/20 0.37
ORAI2 Q96SN7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABL1 P00519 1/20 0.34
WNT3A P56704 2/20 0.33
ABCB1 P08183 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABCC1 P33527 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5033973 0.96 IL2 (0.42) IL2NPC1RAB9ASTIM1ORAI1
SCHEMBL5029752 0.89 IL2 (0.41) IL2NPC1RAB9ASTIM1ORAI1
SCHEMBL5029737 0.89 STIM1 (0.48) IL2NPC1RAB9ASTIM1ORAI1
SCHEMBL5030870 0.89 IL2 (0.49) IL2NPC1RAB9ASTIM1ORAI1
SCHEMBL5030691 0.87 IL2 (0.44) IL2NPC1RAB9ASTIM1ORAI1
SCHEMBL5115802 0.85 NPC1 (0.41) IL2NPC1RAB9AALDH1A1ABL1
SCHEMBL8228068 0.85 IL2 (0.45) IL2NPC1RAB9ASTIM1ORAI1
SCHEMBL5030830 0.84 IL2 (0.42) IL2NPC1RAB9ASTIM1ORAI1
SCHEMBL5033765 0.83 IL2 (0.45) IL2NPC1RAB9ASTIM1ORAI1
SCHEMBL8233126 0.82 IL2 (0.38) IL2NPC1RAB9ASTIM1ORAI1

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 7 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-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
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 (1 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-20070275960-A1 Phenyl and pyridyl compounds for inflammation and immune-related uses NLRP3, CCR1, NLRP1 IL2 55/4885NPC1 636/4885RAB9A 2515/4885

“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.