SCHEMBL10131052

SCHEMBL10131052

COC(=O)CNC(=O)C(CCSC[C@H](NC(C)=O)C(=O)NCC(=O)OC)NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN9A Q15858 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
BIRC2 Q13490 1/20 0.35

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
SCHEMBL10131070 0.88 DRD1 (0.41) TLR2CTSSCTSKSIRT6SIRT1
SCHEMBL4403421 0.86 CA12 (0.39) CA12CA1CA2CA3CA4
SCHEMBL4403376 0.81 CYP1A2 (0.40) CA12CA1CA2CA3CA4
SCHEMBL10131069 0.80 HDAC3 (0.48) CTSSCTSKFNTAFNTBALDH1A1
SCHEMBL21248160 0.74 ALDH1A1 (0.53) CA12CA1CA2CA3CA4
SCHEMBL21248161 0.74 ALDH1A1 (0.53) CA12CA1CA2CA3CA4
SCHEMBL4401203 0.74 GAA (0.41) CA12CA1CA2CA3CA4
SCHEMBL23560081 0.73 CTSS (0.38) CTSSCTSKDRD1RECQLFNTA
SCHEMBL19177190 0.72 CYP1A2 (0.46) CTSSCTSKALDH1A1HPGDMAPT
SCHEMBL12972477 0.72 ALDH1A1 (0.40) CA12CA1CA2CA3CA4

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 TLR2 1889/4885CA12 1970/4885CA1 1189/4885

“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.