SCHEMBL23455349

SCHEMBL23455349

CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)Nc1cccc(C(=O)NCC(=O)NCC(NC(=O)c2c(Cl)cccc2Cl)C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 12/20 0.61
▸ ITGA5 P08648 6/20 0.61
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ NPFFR1 Q9GZQ6 2/20 0.39
▸ NPFFR2 Q9Y5X5 2/20 0.39
▸ ITGA4 P13612 6/20 0.37
▸ ITGAV P06756 4/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ ITGB5 P18084 1/20 0.37
▸ ITGB8 P26012 1/20 0.36
▸ GPR139 Q6DWJ6 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL23455347 1.00 ITGB1 (0.61) ITGB1ITGA5PRMT5WDR77NPFFR1
SCHEMBL23455609 1.00 ITGB1 (0.61) ITGB1ITGA5PRMT5WDR77NPFFR1
SCHEMBL30001790 1.00 ITGB1 (0.61) ITGB1ITGA5PRMT5WDR77NPFFR1
SCHEMBL23455612 1.00 ITGB1 (0.61) ITGB1ITGA5PRMT5WDR77NPFFR1
SCHEMBL30073940 1.00 ITGB1 (0.61) ITGB1ITGA5PRMT5WDR77NPFFR1
SCHEMBL23455488 0.93 ITGB1 (0.52) ITGB1ITGA5PRMT5WDR77NPFFR1
SCHEMBL30001054 0.93 ITGB1 (0.52) ITGB1ITGA5PRMT5WDR77NPFFR1
SCHEMBL23455487 0.93 ITGB1 (0.52) ITGB1ITGA5PRMT5WDR77NPFFR1
SCHEMBL23455485 0.93 ITGB1 (0.52) ITGB1ITGA5PRMT5WDR77NPFFR1
SCHEMBL23455527 0.89 ITGB1 (0.61) ITGB1ITGA5PRMT5WDR77NPFFR1

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 4 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
EP-4072541-A1 ALPHA-5 BETA-1 INHIBITORS The Regents of the University of California (US) 2022-10-19 — — EP 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 (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 19/4885PRMT5 125/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ITGB1 138/4885ITGA5 19/4885PRMT5 125/4885

“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.

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