SCHEMBL23978567

SCHEMBL23978567

CN(Cc1ccccc1)C(=O)NC[C@H](NC(=O)c1c(Cl)cc(C(=O)NCc2cccc(Cl)c2)cc1Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.46
ITGA5 P08648 2/20 0.46
CXCR3 P49682 1/20 0.45
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
NPC1 O15118 1/20 0.41
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
HCRTR1 O43613 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
ITGA4 P13612 1/20 0.39
CNR2 P34972 1/20 0.39
APEX1 P27695 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
SCHEMBL30279319 1.00 ITGB1 (0.46) ITGB1ITGA5CXCR3TMEM97SIGMAR1
SCHEMBL23978942 1.00 ITGB1 (0.46) ITGB1ITGA5CXCR3TMEM97SIGMAR1
SCHEMBL26476160 0.92 PPARG (0.46) ITGB1ITGA5CTSBITGA4
SCHEMBL30279400 0.92 ITGAL (0.44) ITGB1ITGA5CXCR3TMEM97SIGMAR1
SCHEMBL26476033 0.92 PPARG (0.46) ITGB1ITGA5CTSBITGA4
SCHEMBL23978649 0.92 ITGAL (0.44) ITGB1ITGA5CXCR3TMEM97SIGMAR1
SCHEMBL23978549 0.92 ITGAL (0.44) ITGB1ITGA5CXCR3TMEM97SIGMAR1
SCHEMBL23978995 0.91 TACR1 (0.42) ITGB1ITGA5CXCR3TMEM97SIGMAR1
SCHEMBL26502639 0.91 TACR1 (0.42) ITGB1ITGA5CXCR3TMEM97SIGMAR1
SCHEMBL24804507 0.85 TMEM97 (0.51) CXCR3TMEM97SIGMAR1NPC1GAA

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 5 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-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 ITGB1 1/4885ITGA5 15/4885CXCR3 670/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 ITGB1 1/4885ITGA5 15/4885CXCR3 670/4885

“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.