SCHEMBL21376478

SCHEMBL21376478

COC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
ITGB1 P05556 7/20 0.40
ITGA4 P13612 6/20 0.40
ITGB7 P26010 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KLK5 Q9Y337 1/20 0.40
CTSL P07711 1/20 0.39
ITGA5 P08648 2/20 0.39
ITGAV P06756 1/20 0.39
ITGA2 P17301 1/20 0.39
DRD2 P14416 1/20 0.39
IDO1 P14902 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38

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
SCHEMBL21358869 0.89 ITGB1 (0.48) SYKITGB1ITGA4ITGB7ITGA5
SCHEMBL21358871 0.89 ITGB1 (0.48) SYKITGB1ITGA4ITGB7ITGA5
SCHEMBL7538486 0.86 TDP1 (0.48) POLBATMGAADRD2ALDH1A1
SCHEMBL7541966 0.86 TDP1 (0.48) POLBATMGAADRD2ALDH1A1
SCHEMBL23455548 0.86 ITGB1 (0.42) POLBMAPK1ATMITGB1ITGA4
SCHEMBL23455550 0.86 ITGB1 (0.42) POLBMAPK1ATMITGB1ITGA4
SCHEMBL7545229 0.85 TDP1 (0.52) POLBATMGAADRD2ALDH1A1
SCHEMBL7544858 0.85 TDP1 (0.52) POLBATMGAADRD2ALDH1A1
SCHEMBL21940272 0.82 SYK (0.40) SYKPOLBATMGAAKLK5
SCHEMBL23489559 0.81 ITGB1 (0.45) POLBITGB1ITGA4ITGB7HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 US disclosed
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 WO 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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 SYK 1488/4885POLB 1702/4885MAPK1 3134/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 SYK 1488/4885POLB 1702/4885MAPK1 3134/4885

“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.