SCHEMBL21358795

SCHEMBL21358795

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ANPEP P15144 1/20 0.52
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ACE P12821 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ITGB1 P05556 6/20 0.48
▸ ITGA2 P17301 6/20 0.48
▸ ITGA4 P13612 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ POLB P06746 1/20 0.48

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
SCHEMBL21358794 1.00 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2ANPEPMAPTMEN1
SCHEMBL4788088 0.80 MAPT (0.75) ALDH1A1SMN1; SMN2ANPEPMAPTMEN1
SCHEMBL21358725 0.79 POLB (0.54) ALDH1A1SMN1; SMN2ANPEPITGB1ITGA2
SCHEMBL21358724 0.79 POLB (0.54) ALDH1A1SMN1; SMN2ANPEPITGB1ITGA2
SCHEMBL12757431 0.79 ITGB1 (0.52) ALDH1A1SMN1; SMN2MAPTITGB1ITGA2
SCHEMBL10030547 0.79 ACE (0.74) ACEL3MBTL1
SCHEMBL7373769 0.79 ACE (0.74) ACEL3MBTL1
SCHEMBL21358872 0.79 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL21358870 0.79 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL13247996 0.79 KMT2A (0.67) ALDH1A1KMT2AITGB1ITGA2ITGA4

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 ALDH1A1 382/4885SMN1; SMN2 2789/4885ANPEP 881/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 ALDH1A1 382/4885SMN1; SMN2 2789/4885ANPEP 881/4885

“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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