SCHEMBL22793231

SCHEMBL22793231

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)c2ccccc2)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 13/20 0.47
▸ ITGAV P06756 8/20 0.47
▸ ITGB5 P18084 6/20 0.47
▸ ITGB1 P05556 1/20 0.46
▸ ITGA5 P08648 1/20 0.46
▸ ITGA2B P08514 5/20 0.45
▸ MC4R P32245 7/20 0.45
▸ MC5R P33032 7/20 0.45
▸ MC3R P41968 7/20 0.45
▸ MC1R Q01726 7/20 0.45

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
SCHEMBL21524963 0.91 ITGB3 (0.54) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL21524976 0.87 ITGB3 (0.52) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL21524962 0.87 ITGB3 (0.52) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL26220055 0.86 ITGB3 (0.52) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL29726666 0.84 ITGB3 (0.54) ITGB3ITGAVITGB5ITGA2B
SCHEMBL21766911 0.84 ITGB3 (0.58) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL20888358 0.84 ITGB3 (0.58) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL19605458 0.84 ITGB3 (0.58) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL21348134 0.83 ITGB3 (0.44) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL19939614 0.83 ITGB3 (0.44) ITGB3ITGAVITGB5ITGB1ITGA5

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-20200390901-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONOTHIOLATES AND - PHOSPHONATES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2020-12-17 — — 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-20200390901-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONOTHIOLATES AND - PHOSPHONATES ACP1, PTMS, ALG1 ITGB3 862/4885ITGAV 912/4885ITGB5 686/4885

“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.

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