SCHEMBL9896063

SCHEMBL9896063

CCOc1c(SSc2cnn(-c3cccc(C)c3)c(=O)c2OCC)cnn(-c2cccc(C)c2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PAX8 Q06710 1/20 0.51
NPBWR1 P48145 10/20 0.51
MCHR1 Q99705 7/20 0.51
BLM P54132 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK14 Q16539 1/20 0.39

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
SCHEMBL9917036 0.95 NPBWR1 (0.47) NPC1RAB9APAX8NPBWR1MCHR1
SCHEMBL9898276 0.91 NPBWR1 (0.44) NPC1RAB9APAX8NPBWR1MCHR1
SCHEMBL1461433 0.87 MAPT (0.41) NPBWR1MCHR1BLMNPSR1ALDH1A1
SCHEMBL9918706 0.86 NPSR1 (0.56) NPC1RAB9APAX8NPBWR1MCHR1
SCHEMBL9917035 0.84 NPBWR1 (0.39) NPC1RAB9APAX8NPBWR1MCHR1
SCHEMBL9917046 0.83 ALDH1A1 (0.50) RAB9ANPBWR1MCHR1BLMNPSR1
SCHEMBL12826266 0.81 HPGDS (0.38) NPBWR1MCHR1BLMNPSR1ALDH1A1
SCHEMBL1462027 0.80 NPSR1 (0.52) NPC1RAB9APAX8NPBWR1MCHR1
SCHEMBL9897090 0.79 NPSR1 (0.37) NPBWR1MCHR1BLMNPSR1ALDH1A1
SCHEMBL9918819 0.79 NPSR1 (0.53) NPC1RAB9APAX8NPBWR1MCHR1

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
US-20120149710-A1 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-06-14 US disclosed
US-20120149710-A1 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-06-14 US disclosed
WO-2011028492-A2 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-10 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-20120149710-A1 SORTASE A INHIBITORS STS, ENGASE, SPR NPC1 805/4885RAB9A 820/4885PAX8 4672/4885

“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.