SCHEMBL23978556

SCHEMBL23978556

O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(Cc1cccc(Cl)c1)C2=O)C(=O)O)N[C@@H]1CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 16/20 0.43
ICAM1 P05362 16/20 0.43
ITGAL P20701 16/20 0.43
EPHX2 P34913 2/20 0.39
ACKR3 P25106 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36

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
SCHEMBL24805349 1.00 ITGB2 (0.43) ITGB2ICAM1ITGALEPHX2ACKR3
SCHEMBL26104804 1.00 ITGB2 (0.43) ITGB2ICAM1ITGALEPHX2ACKR3
SCHEMBL30279378 1.00 ITGB2 (0.43) ITGB2ICAM1ITGALEPHX2ACKR3
SCHEMBL23978734 0.96 ITGB2 (0.44) ITGB2ICAM1ITGALEPHX2
SCHEMBL23978993 0.96 ITGB2 (0.44) ITGB2ICAM1ITGALEPHX2
SCHEMBL30279444 0.96 ITGB2 (0.44) ITGB2ICAM1ITGALEPHX2
SCHEMBL24803248 0.96 ITGB2 (0.44) ITGB2ICAM1ITGALEPHX2
SCHEMBL26105351 0.96 ITGB2 (0.44) ITGB2ICAM1ITGALEPHX2
SCHEMBL24804798 0.94 ITGB2 (0.48) ITGB2ICAM1ITGALEPHX2ACKR3
SCHEMBL23978551 0.94 ITGB2 (0.48) ITGB2ICAM1ITGALEPHX2ACKR3

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.