SCHEMBL21376455

SCHEMBL21376455

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 6/20 0.47
▸ PPIB P23284 4/20 0.47
▸ PPIG Q13427 2/20 0.47
▸ PPIA P62937 1/20 0.47
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ ITGB1 P05556 4/20 0.40
▸ ITGA2 P17301 4/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ANPEP P15144 1/20 0.39

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 0.89 ACE (0.47) CA1CA2CA7CA14ALDH1A1
SCHEMBL21358724 0.89 POLB (0.54) ALDH1A1POLBITGB1ITGA2ITGA4
SCHEMBL21358725 0.89 POLB (0.54) ALDH1A1POLBITGB1ITGA2ITGA4
SCHEMBL21376443 0.86 PPARG (0.54) ALDH1A1POLBPPARGSMN1; SMN2ANPEP
SCHEMBL21376446 0.79 OPRM1 (0.52) ALDH1A1LMNAPOLB
SCHEMBL21376447 0.76 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2ANPEP
SCHEMBL21376371 0.76 ITGB1 (0.48) ALDH1A1LMNAITGB1ITGA2ITGA4
SCHEMBL15652114 0.75 PPID (0.65) PPIDPPIBPPIGPPIAALDH1A1
SCHEMBL21376626 0.74 ITGA4 (0.55) PPIDPPIBALDH1A1LMNAITGB1
SCHEMBL15939528 0.73 PPID (0.65) PPIDPPIBPPIGPPIAEPHX1

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 PPID 2968/4885PPIB 1774/4885PPIG 2620/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 PPID 2968/4885PPIB 1774/4885PPIG 2620/4885

“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.

Send feedback