SCHEMBL23978574

SCHEMBL23978574

O=C(NC[C@H](NC(=O)c1c(Cl)cc(C(=O)NCc2cccc(Cl)c2)cc1Cl)C(=O)O)N[C@@H]1CCc2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.46
ITGB2 P05107 6/20 0.41
ICAM1 P05362 6/20 0.41
ITGAL P20701 6/20 0.41
EPHX2 P34913 2/20 0.38
NPC1 O15118 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37
DHODH Q02127 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL23978958 1.00 TRPV1 (0.46) TRPV1ITGB2ICAM1ITGALEPHX2
SCHEMBL26105654 1.00 TRPV1 (0.46) TRPV1ITGB2ICAM1ITGALEPHX2
SCHEMBL30336947 1.00 TRPV1 (0.46) TRPV1ITGB2ICAM1ITGALEPHX2
SCHEMBL23978950 0.94 EPHX2 (0.45) TRPV1ITGB2ICAM1ITGALEPHX2
SCHEMBL30337050 0.94 EPHX2 (0.45) TRPV1ITGB2ICAM1ITGALEPHX2
SCHEMBL26106503 0.94 EPHX2 (0.45) TRPV1ITGB2ICAM1ITGALEPHX2
SCHEMBL23978559 0.94 EPHX2 (0.45) TRPV1ITGB2ICAM1ITGALEPHX2
SCHEMBL23978744 0.94 EPHX2 (0.45) TRPV1ITGB2ICAM1ITGALEPHX2
SCHEMBL26476268 0.94 TRPV1 (0.46) TRPV1ITGB2ICAM1ITGAL
SCHEMBL26476152 0.94 TRPV1 (0.46) TRPV1ITGB2ICAM1ITGAL

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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 TRPV1 2681/4885ITGB2 2/4885ICAM1 21/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 TRPV1 2681/4885ITGB2 2/4885ICAM1 21/4885

“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.