SCHEMBL23455397

SCHEMBL23455397

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.58
ITGA5 P08648 9/20 0.58
ITGAV P06756 6/20 0.45
ITGB8 P26012 3/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NCOA1 Q15788 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ITGA4 P13612 3/20 0.42
ACE P12821 1/20 0.41
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
CTSS P25774 2/20 0.39
CTSK P43235 2/20 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
SCHEMBL23455400 1.00 ITGB1 (0.58) ITGB1ITGA5ITGAVITGB8KDM4E
SCHEMBL23978757 0.93 ITGB1 (0.51) ITGB1ITGA5ITGAVITGB8KDM4E
SCHEMBL23489201 0.92 ITGB1 (0.50) ITGB1ITGA5ITGAVITGB8KDM4E
SCHEMBL23455429 0.92 ITGB1 (0.50) ITGB1ITGA5ITGAVITGB8KDM4E
SCHEMBL23489252 0.91 ITGB1 (0.49) ITGB1ITGA5ITGAVITGB8KDM4E
SCHEMBL23978867 0.89 ITGB1 (0.47) ITGB1ITGA5ITGAVKDM4EMEN1
SCHEMBL28884242 0.88 ITGB1 (0.45) ITGB1ITGA5ITGAVITGB8KDM4E
SCHEMBL28884210 0.87 ITGB1 (0.73) ITGB1ITGA5ITGAVITGB8MEN1
SCHEMBL24805471 0.86 ITGB1 (0.46) ITGB1ITGA5ITGAVITGB8KDM4E
SCHEMBL23455520 0.85 ITGB1 (0.51) ITGB1ITGA5ITGAVITGB8KDM4E

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 10 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
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 CN disclosed
EP-4142707-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF The Regents of the University of California (US) 2023-03-08 EP 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
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 US disclosed
CN-115348861-A Alpha-5 beta-1 inhibitors 加利福尼亚大学董事会 2022-11-15 CN disclosed
EP-4072541-A1 ALPHA-5 BETA-1 INHIBITORS The Regents of the University of California (US) 2022-10-19 EP 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
WO-2021119199-A1 ALPHA-5 BETA-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-17 WO disclosed
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 US 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 (4 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 15/4885ITGAV 10/4885
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS SCN5A, PSMA5, API5 ITGB1 138/4885ITGA5 19/4885ITGAV 1756/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 ITGB1 1/4885ITGA5 15/4885ITGAV 10/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ITGB1 138/4885ITGA5 19/4885ITGAV 1756/4885

“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.