SCHEMBL4699013

SCHEMBL4699013

CS(=O)(=O)Nc1ccccc1-c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.55
KDM1A O60341 1/20 0.55
PTGS1 P23219 6/20 0.50
PTGS2 P35354 4/20 0.50
MCL1 Q07820 1/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
CDK1 P06493 1/20 0.48
CDK2 P24941 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.48
CKS1B P61024 1/20 0.48
GLO1 Q04760 1/20 0.48
SKP2 Q13309 1/20 0.48
MAPK10 P53779 1/20 0.47
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47

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
SCHEMBL4533547 0.85 KDM1A (0.60) KDM1APTGS2MCL1CDK1CDK2
SCHEMBL31645593 0.85 KDM1A (0.60) KDM1APTGS2MCL1CDK1CDK2
SCHEMBL28448365 0.83 SLC22A12 (0.76) SLC22A12PTGS1PTGS2PIK3CDPIK3CA
SCHEMBL7183442 0.81 LMNA (0.64) KDM1AMCL1CDK1CDK2IRAK4
SCHEMBL3141420 0.79 KDM1A (0.55) SLC22A12KDM1AMCL1CDK1CDK2
SCHEMBL4667179 0.79 MCL1 (0.61) KDM1AMCL1CDK1CDK2IRAK4
SCHEMBL7183438 0.79 KDM1A (0.58) SLC22A12KDM1AMCL1CDK1CDK2
SCHEMBL4667208 0.77 STAT3 (0.64) SLC22A12KDM1APTGS1PTGS2MCL1
SCHEMBL3786773 0.76 NOTUM (0.44) PIK3CDMAPK10
SCHEMBL2040317 0.76 MCL1 (0.64) KDM1AMCL1CDK1CDK2IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP disclosed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US 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-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R SLC22A12 2623/4885KDM1A 1954/4885PTGS1 602/4885

“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.