SCHEMBL22016803

SCHEMBL22016803

COC(=O)[C@H](Cc1ccc(B2OC(C)(C)C(C)(C)O2)c2c1CC(C)(C)O2)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.35
ITGA4 P13612 13/20 0.35
ITGA5 P08648 3/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
MAPT P10636 1/20 0.33
PSMB5 P28074 1/20 0.33
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
ITGA2 P17301 1/20 0.32
ITGB7 P26010 1/20 0.32

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
SCHEMBL21955033 0.91 ITGB1 (0.42) ITGB1ITGA4ITGA5ITGB3ITGAV
SCHEMBL21955032 0.91 ITGB1 (0.42) ITGB1ITGA4ITGA5ITGB3ITGAV
SCHEMBL29736204 0.86 ITGB1 (0.39) ITGB1ITGA4ITGA5ITGB3ITGAV
SCHEMBL22017152 0.85 NLRP3 (0.35) ITGB1ITGA4ITGA5ITGB3ITGAV
SCHEMBL29736403 0.85 NLRP3 (0.35) ITGB1ITGA4ITGA5ITGB3ITGAV
SCHEMBL22017385 0.85 NLRP3 (0.35) ITGB1ITGA4ITGA5ITGB3ITGAV
SCHEMBL29671145 0.82 ITGB2 (0.42) ITGB1ITGA4MAPTPSMB5ITGB2
SCHEMBL22031418 0.82 ITGB2 (0.42) ITGB1ITGA4MAPTPSMB5ITGB2
SCHEMBL22035225 0.78 AKT3 (0.38) ITGB1ITGA4ITGA5ITGB3ITGAV
SCHEMBL29671087 0.78 AKT3 (0.38) ITGB1ITGA4ITGA5ITGB3ITGAV

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-20220226337-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2022-07-21 US disclosed
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 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 (3 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-20220226337-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885ITGA5 12/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885ITGA5 12/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885ITGA5 12/4885

“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.