SCHEMBL5033802

SCHEMBL5033802

Cc1cc(-c2ccno2)sc1-c1ccc(C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MKNK1 Q9BUB5 7/20 0.39
MKNK2 Q9HBH9 7/20 0.39
GPR52 Q9Y2T5 1/20 0.38
MAPK1 P28482 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPK6 Q16659 1/20 0.36
MAPKAPK5 Q8IW41 1/20 0.36
BRD4 O60885 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
PTGS1 P23219 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL5029742 0.83 APP (0.40) ARESR1ESR2NPC1RAB9A
SCHEMBL5033805 0.83 ESR1 (0.43) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL5029504 0.79 ESR1 (0.53) ESR1ESR2MKNK1MKNK2GPR52
SCHEMBL5033854 0.79 MYC (0.46) ESR1ESR2MKNK1MKNK2NPC1
SCHEMBL5029743 0.77 ESR1 (0.37) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL5032076 0.77 MKNK1 (0.44) ESR1ESR2MKNK1MKNK2GPR52
SCHEMBL2909127 0.76 AR (0.54) ARMKNK1MKNK2NPC1RAB9A
SCHEMBL5033803 0.75 ESR1 (0.48) ARESR1ESR2MKNK1MKNK2
SCHEMBL14360834 0.75 POLB (0.39) ESR1ESR2MAPK1NPC1RAB9A
SCHEMBL5032068 0.75 CHEK2 (0.50) ESR1ESR2MKNK1MKNK2MAPK1

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 6 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
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 AR 1435/4885ESR1 2368/4885ESR2 3387/4885

“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.