SCHEMBL23978610

SCHEMBL23978610

O=C(NC[C@H](NC(=O)c1c(Cl)cc(C(=O)N2CC(c3ccccc3)C2)cc1Cl)C(=O)O)N[C@@H]1CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 10/20 0.44
ICAM1 P05362 10/20 0.44
ITGAL P20701 10/20 0.44
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 3/20 0.42
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TAS1R2 Q8TE23 2/20 0.41
DHODH Q02127 1/20 0.41
KCNA5 P22460 1/20 0.40
HTT P42858 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
SCHEMBL24805378 1.00 ITGB2 (0.44) ITGB2ICAM1ITGALALDH1A1EPHX2
SCHEMBL23978609 0.91 ITGB2 (0.49) ITGB2ICAM1ITGALALDH1A1EPHX2
SCHEMBL26105861 0.91 ITGB2 (0.49) ITGB2ICAM1ITGALALDH1A1EPHX2
SCHEMBL24804228 0.91 ITGB2 (0.49) ITGB2ICAM1ITGALALDH1A1EPHX2
SCHEMBL30279355 0.91 ITGB2 (0.49) ITGB2ICAM1ITGALALDH1A1EPHX2
SCHEMBL23978804 0.90 EPHX2 (0.42) ITGB2ICAM1ITGALALDH1A1EPHX2
SCHEMBL30083845 0.90 EPHX2 (0.42) ITGB2ICAM1ITGALALDH1A1EPHX2
SCHEMBL24803484 0.90 EPHX2 (0.42) ITGB2ICAM1ITGALALDH1A1EPHX2
SCHEMBL24804256 0.90 EPHX2 (0.42) ITGB2ICAM1ITGALALDH1A1EPHX2
SCHEMBL24804250 0.89 EPHX2 (0.43) ITGB2ICAM1ITGALALDH1A1EPHX2

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 ITGB2 2/4885ICAM1 21/4885ITGAL 7/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 ITGB2 2/4885ICAM1 21/4885ITGAL 7/4885

“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.