SCHEMBL21955083

SCHEMBL21955083

CC1(C)OB(c2ccc(CC(NC(=O)c3c(F)cccc3F)C(=O)O)c3c2OCCO3)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 9/20 0.45
ICAM1 P05362 9/20 0.45
ITGAL P20701 9/20 0.45
ITGA4 P13612 6/20 0.43
ITGB1 P05556 4/20 0.40
ITGB7 P26010 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
CTSL P07711 1/20 0.35
ALB P02768 1/20 0.35
IL2 P60568 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL21955081 1.00 ITGB2 (0.45) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL22017695 0.91 ITGB2 (0.36) ITGB2ICAM1ITGALITGA4PSMB1
SCHEMBL21954964 0.89 ITGB2 (0.42) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL21954965 0.89 ITGB2 (0.42) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL21979129 0.85 ITGB2 (0.55) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL21979127 0.85 ITGB2 (0.55) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL21954944 0.80 ITGB2 (0.52) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL21954943 0.80 ITGB2 (0.52) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL22017367 0.80 NLRP3 (0.35) ITGB2ICAM1ITGALITGA4NPC1
SCHEMBL29736579 0.80 NLRP3 (0.35) ITGB2ICAM1ITGALITGA4NPC1

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-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
EP-3873897-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 EP 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.