SCHEMBL2928351

SCHEMBL2928351

CS(=O)(=O)c1ccc2[nH]c(C3=CCOCC3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
PIK3C3 Q8NEB9 1/20 0.38
VCP P55072 1/20 0.37
MAPK14 Q16539 4/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
ATR Q13535 1/20 0.36
WNT3A P56704 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PNMT P11086 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
MMP13 P45452 1/20 0.34
KDR P35968 1/20 0.34
CCNT1 O60563 1/20 0.34

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
SCHEMBL17384805 0.76 RAB9A (0.46) PIK3C3MAPK14KDR
SCHEMBL8306238 0.72 CDK5 (0.60) CDK5CDK5R1VCPMAPK14ATR
SCHEMBL2929405 0.69 CTSV (0.46) CDK5CDK5R1VCPATRCA12
SCHEMBL1815402 0.68 LMNA (0.47) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2929691 0.68 CDK5 (0.55) CDK5CDK5R1VCPMAPK14CA12
SCHEMBL2928354 0.68 RORC (0.42) CDK5CDK5R1PIK3C3VCPATR
SCHEMBL318866 0.67 CYP2A6 (0.52) CDK5CDK5R1KDR
SCHEMBL2929576 0.67 CA12 (0.41) PIK3CDPIK3CAATRCA12CA2
SCHEMBL1460048 0.67 ULK1 (0.37) MAPK14ATRCCNT1CDK9
SCHEMBL2927004 0.67 CDK5 (0.43) CDK5CDK5R1VCPATRCA12

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-1086950-B1 HETEROCYCLIC INDOLE DERIVATIVES AND MONO- OR DIAZAINDOLE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-09-29 EP disclosed
US-7612070-B2 Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-11-03 US disclosed
US-20050137202-A1 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-06-23 US disclosed
US-6875770-B2 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-04-05 US disclosed
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-08 US disclosed
US-6673797-B1 CYCLOOXYGENASE-2 INHIBITORS; TREATING INFLAMMATORY DISEASE INDUCED BY CYCLOOXYGENASE-2 CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-06 US disclosed
EP-1086950-A1 HETEROCYCLIC INDOLE DERIVATIVES AND MONO- OR DIAZAINDOLE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-03-28 EP 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 (2 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-20050137202-A1 Indole derivative having heterocycle and mono- or diazaindole derivative PTGS2, IDO2, IDO1 CDK5 459/4885CDK5R1 418/4885PIK3C3 3703/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 CDK5 752/4885CDK5R1 423/4885PIK3C3 3628/4885

“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.