SCHEMBL12148795

SCHEMBL12148795

O=C1CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)CN1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.54
HRH3 Q9Y5N1 2/20 0.50
GHSR Q92847 3/20 0.49
CTSD P07339 1/20 0.48
TACR2 P21452 5/20 0.47
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA2B P08514 1/20 0.46
OPRM1 P35372 3/20 0.45
OPRD1 P41143 3/20 0.45
OPRK1 P41145 1/20 0.45
CXCR4 P61073 1/20 0.44

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
SCHEMBL8135311 1.00 HDAC8 (0.54) HDAC8HRH3GHSRCTSDTACR2
SCHEMBL1598687 0.97 HDAC8 (0.57) HDAC8HRH3GHSRCTSDTACR2
SCHEMBL7304234 0.97 HDAC8 (0.57) HDAC8HRH3GHSRCTSDTACR2
SCHEMBL1673516 0.97 HDAC8 (0.57) HDAC8HRH3GHSRCTSDTACR2
SCHEMBL30637590 0.92 OPRM1 (0.55) OPRM1OPRD1OPRK1CXCR4
SCHEMBL30637599 0.92 OPRM1 (0.55) OPRM1OPRD1OPRK1CXCR4
SCHEMBL30637559 0.92 OPRM1 (0.55) OPRM1OPRD1OPRK1CXCR4
SCHEMBL30637487 0.92 OPRM1 (0.55) OPRM1OPRD1OPRK1CXCR4
Acetic Acid SCHEMBL27525272 0.89 OPRM1 (0.51) HDAC8HRH3GHSRCTSDITGB3
SCHEMBL4404121 0.87 HDAC8 (0.48) HDAC8HRH3GHSRCTSDTACR2

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-20110286923-A1 NOVEL CONJUGATES OF POLYMERS HAVING A THERAPEUTICALLY ACTIVE AGENT AND AN ANGIOGENESIS TARGETING MOIETY ATTACHED THERETO AND USES THEREOF IN THE TREATMENT OF ANGIOGENESIS RELATED DISEASES Fundacion de la Communidad Valenciana Centro de Investigacion principe felipe (ES) 2011-11-24 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-20110286923-A1 NOVEL CONJUGATES OF POLYMERS HAVING A THERAPEUTICALLY ACTIVE AGENT AND AN ANGIOGENESIS TARGETING MOIETY ATTACHED THERETO AND USES THEREOF IN THE TREATMENT OF ANGIOGENESIS RELATED DISEASES VEGFA, FLT4, FLT1 HDAC8 805/4885HRH3 2845/4885GHSR 2392/4885

“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.