SCHEMBL23978758

SCHEMBL23978758

CC(C)(C)OC(=O)NC[C@H](NC(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.53
MAPT P10636 4/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
IDO1 P14902 1/20 0.43
CTSS P25774 2/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
NTSR1 P30989 1/20 0.42
XBP1 P17861 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARA Q07869 1/20 0.41

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
SCHEMBL23978867 0.94 ITGB1 (0.47) SYKMAPTPOLBMAPK1GPR55
SCHEMBL23489472 0.91 SYK (0.44) SYKMAPTPOLBMAPK1GPR55
SCHEMBL23518406 0.91 SYK (0.44) SYKMAPTPOLBMAPK1GPR55
SCHEMBL23978757 0.88 ITGB1 (0.51) SYKMEN1KMT2AKDM4EIDO1
SCHEMBL23489195 0.86 ITGB1 (0.50) SYKMAPTPOLBMAPK1GPR55
SCHEMBL23489231 0.84 ITGB1 (0.52) MAPTMEN1KMT2A
SCHEMBL23489252 0.84 ITGB1 (0.49) SYKMAPTMEN1KMT2AKDM4E
SCHEMBL23455429 0.83 ITGB1 (0.50) SYKMEN1KMT2AKDM4EIDO1
SCHEMBL23489201 0.83 ITGB1 (0.50) SYKMEN1KMT2AKDM4EIDO1
SCHEMBL1626508 0.83 SYK (0.67) SYKMAPTPOLBMAPK1GPR55

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 SYK 1140/4885MAPT 4656/4885POLB 2643/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 SYK 1140/4885MAPT 4656/4885POLB 2643/4885

“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.