SCHEMBL12146076

SCHEMBL12146076

CCCC(=O)NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.50
▸ ITGAV P06756 4/20 0.50
▸ ITGB1 P05556 1/20 0.50
▸ ITGA5 P08648 1/20 0.50
▸ MC4R P32245 11/20 0.48
▸ MC5R P33032 11/20 0.48
▸ MC3R P41968 11/20 0.48
▸ MC1R Q01726 11/20 0.48
▸ ITGB5 P18084 1/20 0.46
▸ CXCR4 P61073 1/20 0.45
▸ PIN1 Q13526 1/20 0.44
▸ CACNA1B Q00975 1/20 0.42
▸ TSLP Q969D9 1/20 0.42
▸ CTSG P08311 1/20 0.42

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
SCHEMBL12462935 0.94 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL14883291 0.92 MC4R (0.49) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL10138534 0.91 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL15397366 0.91 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL10170032 0.91 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL19365170 0.90 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL24975502 0.90 PIN1 (0.49) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL22872754 0.89 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL10000329 0.88 CACNA1B (0.49) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL15853554 0.88 MC4R (0.46) ITGB3ITGAVITGB1ITGA5MC4R

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-8066824-B2 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES, INC. (US) 2011-11-29 — — US disclosed
US-20080035243-A1 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES (US) 2008-02-14 — — 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-20080035243-A1 Covalent modification of metal surfaces ITGAL, ITGA1, ITGA5 ITGB3 12/4885ITGAV 24/4885ITGB1 15/4885

“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.

Send feedback