SCHEMBL22970320

SCHEMBL22970320

CNCCCCC1NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC1=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.55
ITGAV P06756 7/20 0.55
ITGB1 P05556 1/20 0.55
ITGA5 P08648 1/20 0.55
MC4R P32245 9/20 0.54
MC5R P33032 9/20 0.54
MC3R P41968 9/20 0.54
MC1R Q01726 9/20 0.54
ITGA2B P08514 4/20 0.53
ITGB5 P18084 4/20 0.53

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
SCHEMBL12148757 1.00 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL21766911 0.94 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL19605458 0.94 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL20888358 0.94 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL21257776 0.94 ITGB3 (0.54) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL19412647 0.94 ITGB3 (0.54) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL15160074 0.94 ITGB3 (0.54) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL24253221 0.92 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB5
SCHEMBL24253307 0.92 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL19605457 0.92 ITGB3 (0.57) 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
WO-2022032353-A1 RADIOPHARMACEUTICALS, USES THEREOF, AND METHODS FOR THE PRODUCTION THEREOF Clarity Pharmaceuticals Ltd (AU) 2022-02-17 WO disclosed
US-20210040244-A1 p-BORONOPHENYLALANINE DERIVATIVE AND COMPOSITION CONTAINING SAME, AND KIT FOR PRODUCING SAID DERIVATIVE AND COMPOSITION TOKYO INSTITUTE OF TECHNOLOGY (JP) 2021-02-11 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-20210040244-A1 p-BORONOPHENYLALANINE DERIVATIVE AND COMPOSITION CONTAINING SAME, AND KIT FOR PRODUCING SAID DERIVATIVE AND COMPOSITION KIT, SETD7, PAH ITGB3 4261/4885ITGAV 4066/4885ITGB1 3763/4885

“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.