SCHEMBL9917036

SCHEMBL9917036

CCOc1c(SSc2cnn(-c3cccc(C)c3)c(=O)c2C)cnn(-c2cccc(C)c2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.47
MCHR1 Q99705 7/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PAX8 Q06710 1/20 0.47
BLM P54132 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL9896063 0.95 NPC1 (0.51) NPBWR1MCHR1NPC1RAB9APAX8
SCHEMBL9917035 0.89 NPBWR1 (0.39) NPBWR1MCHR1NPC1RAB9APAX8
SCHEMBL9917046 0.89 ALDH1A1 (0.50) NPBWR1MCHR1RAB9ABLMNPSR1
SCHEMBL9898276 0.86 NPBWR1 (0.44) NPBWR1MCHR1NPC1RAB9APAX8
SCHEMBL1461433 0.83 MAPT (0.41) NPBWR1MCHR1BLMNPSR1ALDH1A1
SCHEMBL9918706 0.82 NPSR1 (0.56) NPBWR1MCHR1NPC1RAB9APAX8
SCHEMBL12826266 0.78 HPGDS (0.38) NPBWR1MCHR1BLMNPSR1ALDH1A1
SCHEMBL1462027 0.76 NPSR1 (0.52) NPBWR1MCHR1NPC1RAB9APAX8
SCHEMBL9897090 0.75 NPSR1 (0.37) NPBWR1MCHR1BLMNPSR1ALDH1A1
SCHEMBL9918819 0.75 NPSR1 (0.53) NPBWR1MCHR1NPC1RAB9APAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149710-A1 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-06-14 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-20120149710-A1 SORTASE A INHIBITORS STS, ENGASE, SPR NPBWR1 2734/4885MCHR1 1373/4885NPC1 805/4885

“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.