SCHEMBL12467279

SCHEMBL12467279

CC(C)C1C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CS)C(=O)NC(Cc2ccccc2)C(=O)N1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.49
ITGAV P06756 7/20 0.49
ITGB5 P18084 4/20 0.49
ITGA2B P08514 1/20 0.49
ITGB6 P18564 1/20 0.49
CXCR4 P61073 1/20 0.47
MC4R P32245 10/20 0.45
MC5R P33032 10/20 0.45
MC3R P41968 10/20 0.45
MC1R Q01726 10/20 0.45
ITGB1 P05556 1/20 0.45
ITGA5 P08648 1/20 0.45
KDM4A O75164 1/20 0.44
PIN1 Q13526 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
SCHEMBL19595173 0.94 ITGB3 (0.49) ITGB3ITGAVITGB5ITGA2BITGB6
Cilengitide SCHEMBL16920496 0.93 ITGB3 (0.59) ITGB3ITGAVITGB5ITGA2BITGB6
Cilengitide SCHEMBL22594705 0.93 ITGB3 (0.59) ITGB3ITGAVITGB5ITGA2BITGB6
Cilengitide SCHEMBL451423 0.93 ITGB3 (0.59) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL12468724 0.91 ITGB3 (0.47) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL16923811 0.91 ITGB3 (0.52) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL24202406 0.89 ITGB3 (0.48) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL22807659 0.89 ITGB3 (0.48) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL16920494 0.86 ITGB3 (0.51) ITGB3ITGAVITGB5ITGA2BITGB6
SCHEMBL27360546 0.86 ITGB3 (0.49) ITGB3ITGAVITGB5ITGA2BITGB6

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-20110182989-A1 COMPOSITIONS AND METHODS FOR INHIBITING CELLULAR ADHESION OR DIRECTING DIAGNOSTIC OR THERAPEUTIC AGENTS TO RGD BINDING SITES ALLEGRO PHARMACEUTICALS, INC. (US) 2011-07-28 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-20110182989-A1 COMPOSITIONS AND METHODS FOR INHIBITING CELLULAR ADHESION OR DIRECTING DIAGNOSTIC OR THERAPEUTIC AGENTS TO RGD BINDING SITES HGFAC, ARGLU1, CCR3 ITGB3 4/4885ITGAV 103/4885ITGB5 166/4885

“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.