SCHEMBL23978614

SCHEMBL23978614

O=C(Cc1cccc(Cl)c1)Nc1ccc(Cl)c(C(=O)N[C@@H](CNC(=O)NCc2ccccc2O)C(=O)O)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 4/20 0.39
ITGAL P20701 2/20 0.38
ITGB1 P05556 2/20 0.38
ITGA5 P08648 2/20 0.38
ITGAV P06756 1/20 0.38
ITGA4 P13612 1/20 0.38
ANO1 Q5XXA6 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B2 P37059 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 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
SCHEMBL30279382 1.00 KCNQ2 (0.39) KCNQ2ITGALITGB1ITGA5ITGAV
SCHEMBL23978590 1.00 KCNQ2 (0.39) KCNQ2ITGALITGB1ITGA5ITGAV
SCHEMBL23979071 0.93 ALDH1A1 (0.39) ITGALITGB1ITGA5ITGAVITGA4
SCHEMBL30279338 0.93 ALDH1A1 (0.39) ITGALITGB1ITGA5ITGAVITGA4
SCHEMBL26104460 0.93 ALDH1A1 (0.39) ITGALITGB1ITGA5ITGAVITGA4
SCHEMBL26476406 0.92 ITGB1 (0.38) KCNQ2ITGALITGB1ITGA5ITGAV
SCHEMBL23979054 0.88 PPIA (0.40) KCNQ2ITGALITGB1ITGA5ITGAV
SCHEMBL30083822 0.88 PPIA (0.40) KCNQ2ITGALITGB1ITGA5ITGAV
SCHEMBL30279434 0.88 PPIA (0.40) KCNQ2ITGALITGB1ITGA5ITGAV
SCHEMBL26107303 0.88 PPIA (0.40) KCNQ2ITGALITGB1ITGA5ITGAV

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 KCNQ2 3119/4885ITGAL 7/4885ITGB1 1/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 KCNQ2 3119/4885ITGAL 7/4885ITGB1 1/4885

“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.