SCHEMBL23455435

SCHEMBL23455435

COC(=O)[C@H](CNC(=O)CNC(=O)c1cccc(Nc2ccc(OC)cn2)c1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 6/20 0.46
▸ ITGA5 P08648 3/20 0.46
▸ ROCK1 Q13464 1/20 0.39
▸ GPR139 Q6DWJ6 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ITGA4 P13612 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CTSL P07711 1/20 0.36

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
SCHEMBL23455434 1.00 ITGB1 (0.46) ITGB1ITGA5ROCK1GPR139ABL1
SCHEMBL23455496 0.94 ITGB1 (0.54) ITGB1ITGA5ROCK1GPR139ABL1
SCHEMBL30000520 0.94 ITGB1 (0.54) ITGB1ITGA5ROCK1GPR139ABL1
SCHEMBL23455498 0.94 ITGB1 (0.54) ITGB1ITGA5ROCK1GPR139ABL1
SCHEMBL23489403 0.89 ITGB1 (0.41) ITGB1ITGA5ROCK1GPR139ABL1
SCHEMBL23455525 0.88 ITGB1 (0.50) ITGB1ITGA5ITGA4ITGB3ITGAV
SCHEMBL23455523 0.88 ITGB1 (0.50) ITGB1ITGA5ITGA4ITGB3ITGAV
SCHEMBL23489292 0.86 ABL1 (0.49) ROCK1ABL1BCRMAPTL3MBTL1
SCHEMBL23455356 0.85 ITGB1 (0.47) ITGB1ITGA5MAPTALDH1A1
SCHEMBL23455354 0.85 ITGB1 (0.47) ITGB1ITGA5MAPTALDH1A1

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 7 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-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
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
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 19/4885ROCK1 599/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ITGB1 138/4885ITGA5 19/4885ROCK1 599/4885

“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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