SCHEMBL21358725

SCHEMBL21358725

CCC(CC)C(=O)NC(CNC(=O)NCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ ANPEP P15144 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ITGB1 P05556 7/20 0.48
▸ ITGA2 P17301 7/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ PPARG P37231 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ ITGA4 P13612 1/20 0.46

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
SCHEMBL21358724 1.00 POLB (0.54) POLBANPEPSMN1; SMN2ITGB1ITGA2
SCHEMBL21376456 0.90 ACE (0.47) POLBSMN1; SMN2ITGB1ITGA2ALDH1A1
SCHEMBL21376455 0.89 PPID (0.47) POLBANPEPSMN1; SMN2ITGB1ITGA2
SCHEMBL21376446 0.87 OPRM1 (0.52) POLBALDH1A1
SCHEMBL21376443 0.87 PPARG (0.54) POLBANPEPSMN1; SMN2ALDH1A1PPARG
SCHEMBL21376447 0.84 ALDH1A1 (0.64) ANPEPSMN1; SMN2ALDH1A1
SCHEMBL21358794 0.79 ALDH1A1 (0.54) POLBANPEPSMN1; SMN2ITGB1ITGA2
SCHEMBL21358795 0.79 ALDH1A1 (0.54) POLBANPEPSMN1; SMN2ITGB1ITGA2
SCHEMBL13609083 0.79 MME (0.68) —
SCHEMBL13608946 0.78 KMT2A (0.67) POLBALDH1A1PPARG

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 4 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
EP-3765005-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE The Regents of the University of California (US) 2021-01-20 — — EP 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 POLB 1702/4885ANPEP 881/4885SMN1; SMN2 2789/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 POLB 1702/4885ANPEP 881/4885SMN1; SMN2 2789/4885

“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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