SCHEMBL23978637

SCHEMBL23978637

CC1(C)CC[C@@H](NC(=O)NC[C@H](NC(=O)c2c(Cl)ccc(NC(=O)Cc3cccc(Cl)c3)c2Cl)C(=O)O)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
KCNQ2 O43526 4/20 0.36
ITGB1 P05556 4/20 0.35
ITGA5 P08648 3/20 0.35
ITGAV P06756 3/20 0.35
ITGA4 P13612 2/20 0.35
ITGAL P20701 6/20 0.35
ITGB2 P05107 5/20 0.35
ICAM1 P05362 5/20 0.35
EPHX2 P34913 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1C Q13936 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33

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
SCHEMBL24803234 1.00 SIGMAR1 (0.37) SIGMAR1KCNQ2ITGB1ITGA5ITGAV
SCHEMBL23978721 1.00 SIGMAR1 (0.37) SIGMAR1KCNQ2ITGB1ITGA5ITGAV
SCHEMBL30337012 1.00 SIGMAR1 (0.37) SIGMAR1KCNQ2ITGB1ITGA5ITGAV
SCHEMBL26476106 0.94 ITGAL (0.36) KCNQ2ITGB1ITGA5ITGAVITGA4
SCHEMBL26476199 0.94 ITGAL (0.36) KCNQ2ITGB1ITGA5ITGAVITGA4
SCHEMBL23978713 0.93 SIGMAR1 (0.34) SIGMAR1KCNQ2EPHX2PSEN1PSEN2
SCHEMBL30083847 0.93 SIGMAR1 (0.34) SIGMAR1KCNQ2EPHX2PSEN1PSEN2
SCHEMBL26496914 0.93 SIGMAR1 (0.34) SIGMAR1KCNQ2EPHX2PSEN1PSEN2
SCHEMBL26496915 0.89 KCNQ2 (0.39) SIGMAR1KCNQ2EPHX2CACNA1GCACNA1H
SCHEMBL30279405 0.87 EPHX2 (0.42) SIGMAR1KCNQ2ITGALITGB2ICAM1

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-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 SIGMAR1 675/4885KCNQ2 3119/4885ITGB1 1/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 SIGMAR1 675/4885KCNQ2 3119/4885ITGB1 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.