SCHEMBL10131064

SCHEMBL10131064

COC(=O)[C@H](CSC(=O)c1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
CYP26A1 O43174 1/20 0.46
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSL P07711 1/20 0.45
GPR139 Q6DWJ6 1/20 0.45
KMT2A Q03164 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43

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
SCHEMBL10503996 0.90 GPR139 (0.46) GAARAB9AALDH1A1LMNAGLA
SCHEMBL10503368 0.90 GPR139 (0.46) GAARAB9AALDH1A1LMNAGLA
SCHEMBL2673046 0.89 CYP26A1 (0.48) GAARAB9AALDH1A1CYP26A1CTSL
SCHEMBL30843763 0.87 GAA (0.53) GAARAB9AALDH1A1LMNAGLA
SCHEMBL9915089 0.86 GAA (0.48) GAARAB9AALDH1A1LMNAGLA
SCHEMBL12019166 0.85 GPR139 (0.47) RAB9AALDH1A1LMNACTSLGPR139
SCHEMBL10805856 0.85 PTPN1 (0.50) LMNACTSLGPR139
SCHEMBL10942540 0.85 PTPN1 (0.50) LMNACTSLGPR139
SCHEMBL23154641 0.85 GPR139 (0.45) GAARAB9AALDH1A1LMNAGLA
SCHEMBL28769012 0.85 GPR139 (0.45) GAARAB9AALDH1A1LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR MEDICAL UNIVERSITY OF SOUTH CAROLINA 2012-02-23 US disclosed
US-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR MEDICAL UNIVERSITY OF SOUTH CAROLINA 2012-02-23 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-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR GRM6, GRM5, GRM7 GAA 3387/4885RAB9A 1882/4885ALDH1A1 2460/4885

“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.