SCHEMBL23489201

SCHEMBL23489201

COC(=O)C(CNC(=O)CNC(=O)OC(C)(C)C)NC(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.50
ITGA5 P08648 7/20 0.50
KLK5 Q9Y337 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
NCOA1 Q15788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
SYK P43405 1/20 0.39
ITGAV P06756 2/20 0.39
ITGB8 P26012 1/20 0.39
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38

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
SCHEMBL23455429 1.00 ITGB1 (0.50) ITGB1ITGA5KLK5KDM4EALDH1A1
SCHEMBL23489252 0.93 ITGB1 (0.49) ITGB1ITGA5KDM4EALDH1A1HPGD
SCHEMBL23455400 0.92 ITGB1 (0.58) ITGB1ITGA5KDM4EALDH1A1HPGD
SCHEMBL23455397 0.92 ITGB1 (0.58) ITGB1ITGA5KDM4EALDH1A1HPGD
SCHEMBL23978867 0.91 ITGB1 (0.47) ITGB1ITGA5KDM4EALDH1A1HPGD
SCHEMBL23455439 0.87 ITGB1 (0.64) ITGB1ITGA5MEN1LMNAKMT2A
SCHEMBL23455415 0.87 AAK1 (0.38) ITGB1ITGA5KLK5KDM4EALDH1A1
SCHEMBL23455413 0.87 AAK1 (0.38) ITGB1ITGA5KLK5KDM4EALDH1A1
SCHEMBL24805471 0.86 ITGB1 (0.46) ITGB1ITGA5KLK5KDM4EALDH1A1
SCHEMBL23978757 0.85 ITGB1 (0.51) ITGB1ITGA5KDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 US 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 (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-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS SCN5A, PSMA5, API5 ITGB1 138/4885ITGA5 19/4885KLK5 92/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ITGB1 138/4885ITGA5 19/4885KLK5 92/4885

“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.