SCHEMBL21376443

SCHEMBL21376443

CCC(CC)C(=O)N[C@@H](CNC(=O)NCc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.54
▸ ANPEP P15144 1/20 0.52
▸ CASR P41180 1/20 0.50
▸ PPARD Q03181 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ KMT2A Q03164 4/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ACE P12821 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL21376456 0.87 ACE (0.47) PPARGSMN1; SMN2ALDH1A1ACEPOLB
SCHEMBL21358725 0.87 POLB (0.54) PPARGANPEPSMN1; SMN2ALDH1A1POLB
SCHEMBL21358724 0.87 POLB (0.54) PPARGANPEPSMN1; SMN2ALDH1A1POLB
SCHEMBL21376455 0.86 PPID (0.47) PPARGANPEPSMN1; SMN2ALDH1A1POLB
SCHEMBL24135058 0.79 PPARG (0.65) PPARGPPARDPPARANPC1RAB9A
SCHEMBL21376636 0.79 ITGB1 (0.53) ANPEPCASRNPC1RAB9AKMT2A
SCHEMBL21376446 0.77 OPRM1 (0.52) EPHX2ALDH1A1POLB
SCHEMBL5518470 0.77 NPC1 (0.63) ANPEPCASRNPC1RAB9AKMT2A
SCHEMBL24576223 0.76 NPC1 (0.71) ANPEPCASRNPC1RAB9AKMT2A
SCHEMBL21376638 0.76 ALDH1A1 (0.46) ANPEPCASRNPC1RAB9AKMT2A

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 PPARG 4412/4885ANPEP 881/4885CASR 2534/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 PPARG 4412/4885ANPEP 881/4885CASR 2534/4885

“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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