SCHEMBL20975428

SCHEMBL20975428

NCC(=O)NCC(NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.70
ITGA5 P08648 10/20 0.70
ITGAV P06756 6/20 0.64
ITGB3 P05106 4/20 0.64
ITGA4 P13612 6/20 0.61
ITGA2 P17301 2/20 0.61
FKBP1A P62942 2/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
ITGB5 P18084 3/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ITGB6 P18564 2/20 0.49
ITGB8 P26012 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL20975429 1.00 ITGB1 (0.70) ITGB1ITGA5ITGAVITGB3ITGA4
SCHEMBL19412131 1.00 ITGB1 (0.70) ITGB1ITGA5ITGAVITGB3ITGA4
SCHEMBL19426644 0.90 ITGB1 (0.61) ITGB1ITGA5ITGAVITGB3ITGA4
SCHEMBL19426650 0.90 ITGB1 (0.64) ITGB1ITGA5ITGAVITGB3ITGA4
SCHEMBL20975481 0.89 ITGB1 (0.67) ITGB1ITGA5ITGAVITGB3ITGA4
SCHEMBL20975483 0.89 ITGB1 (0.67) ITGB1ITGA5ITGAVITGB3ITGA4
SCHEMBL19412216 0.89 ITGB1 (0.67) ITGB1ITGA5ITGAVITGB3ITGA4
SCHEMBL4254723 0.87 ITGB1 (0.63) ITGB1ITGA5ITGAVITGB3ITGA4
SCHEMBL12084459 0.87 ITGB1 (0.63) ITGB1ITGA5ITGAVITGB3ITGA4
SCHEMBL20975486 0.87 ITGB1 (0.69) ITGB1ITGA5ITGAVITGB3ITGA4

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-10836720-B2 Inhibitors of integrin alpha 5 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-17 US disclosed
US-20190144386-A1 INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-05-16 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 (2 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-20190144386-A1 INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE ITGA5, ITGB5, ITGB1 ITGB1 3/4885ITGA5 1/4885ITGAV 15/4885
US-10836720-B2 Inhibitors of integrin alpha 5 beta 1 and methods of use ITGA5, ITGB5, ITGB1 ITGB1 3/4885ITGA5 1/4885ITGAV 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.