SCHEMBL22017695

SCHEMBL22017695

COC(=O)[C@H](Cc1ccc(B2OC(C)(C)C(C)(C)O2)c2c1OCCO2)NC(=O)c1c(F)cccc1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.36
ICAM1 P05362 3/20 0.36
ITGAL P20701 3/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ITGA4 P13612 1/20 0.34
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
PSMB2 P49721 1/20 0.33
ATM Q13315 1/20 0.32
CNR2 P34972 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
SCHEMBL21955081 0.91 ITGB2 (0.45) ITGB2ICAM1ITGALNPC1RAB9A
SCHEMBL21955083 0.91 ITGB2 (0.45) ITGB2ICAM1ITGALNPC1RAB9A
SCHEMBL22017367 0.89 NLRP3 (0.35) ITGB2ICAM1ITGALKMT2ANPC1
SCHEMBL29736579 0.89 NLRP3 (0.35) ITGB2ICAM1ITGALKMT2ANPC1
SCHEMBL29671154 0.84 ITGB2 (0.46) ITGB2ICAM1ITGALKMT2ANPC1
SCHEMBL22035474 0.84 ITGB2 (0.46) ITGB2ICAM1ITGALKMT2ANPC1
SCHEMBL29736198 0.83 ITGB2 (0.41) ITGB2ICAM1ITGALKMT2ANPC1
SCHEMBL21954964 0.80 ITGB2 (0.42) ITGB2ICAM1ITGALITGA4PSMB1
SCHEMBL22035226 0.80 ITGB2 (0.38) ITGB2ICAM1ITGALKMT2ANPC1
SCHEMBL21954965 0.80 ITGB2 (0.42) ITGB2ICAM1ITGALITGA4PSMB1

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 ITGB2 5/4885ICAM1 32/4885ITGAL 6/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ITGB2 5/4885ICAM1 32/4885ITGAL 6/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 ITGB2 5/4885ICAM1 32/4885ITGAL 6/4885

“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.