SCHEMBL10060256

SCHEMBL10060256

C[C@@H]1C(=O)N2[C@H](C)CS[C@@H]2Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.38
BRD4 O60885 1/20 0.34
CCL2 P13500 1/20 0.34
NOTUM Q6P988 1/20 0.34
OPRM1 P35372 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33

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
SCHEMBL14392106 1.00 PRCP (0.38) PRCPBRD4CCL2NOTUMOPRM1
SCHEMBL15468333 0.74 HTR2A (0.40) PRCPBRD4CCL2NOTUMOPRM1
SCHEMBL15468334 0.71 PRCP (0.38) PRCPBRD4CCL2NOTUMOPRM1
SCHEMBL10586774 0.67
SCHEMBL10586778 0.67
SCHEMBL7713258 0.67 ADRA2A (0.40) PRCPOPRM1HTR2AHTR2CHTR2B
SCHEMBL10079284 0.67 OPRM1 (0.42) PRCPOPRM1HTR2AHTR2CHTR2B
SCHEMBL22861976 0.65 BRD4 (0.45) BRD4CCL2OPRM1HTR2AHTR2C
SCHEMBL13419845 0.65 DDB1 (0.39) OPRM1HTR2AHTR2CHTR2B
SCHEMBL14170111 0.64 BRD4 (0.38) PRCPBRD4NOTUMOPRM1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648094-B2 IAP BIR domain binding compounds PHARMASCIENCE, INC. (CA) 2014-02-11 US disclosed
US-8648094-B2 IAP BIR domain binding compounds PHARMASCIENCE, INC. (CA) 2014-02-11 US disclosed
US-20120195915-A1 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-08-02 US disclosed
US-20120195915-A1 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-08-02 US disclosed
US-8163792-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-04-24 US disclosed
US-8163792-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-04-24 US disclosed
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2009-07-30 US disclosed
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2009-07-30 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 (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-20120195915-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 PRCP 2311/4885BRD4 635/4885CCL2 1096/4885
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 PRCP 2311/4885BRD4 635/4885CCL2 1096/4885

“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.