SCHEMBL21979129

SCHEMBL21979129

CC1(C)OB(c2ccc(CC(NC(=O)c3c(F)cccc3F)C(=O)O)c3ccccc23)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 11/20 0.55
ICAM1 P05362 11/20 0.55
ITGAL P20701 11/20 0.55
ITGA4 P13612 6/20 0.45
ITGB1 P05556 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ITGB7 P26010 1/20 0.40
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB2 P49721 1/20 0.39
CTSL P07711 1/20 0.39

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
SCHEMBL21979127 1.00 ITGB2 (0.55) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL29671154 0.91 ITGB2 (0.46) ITGB2ICAM1ITGALITGA4L3MBTL1
SCHEMBL22035474 0.91 ITGB2 (0.46) ITGB2ICAM1ITGALITGA4L3MBTL1
SCHEMBL21978532 0.88 ITGB2 (0.47) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL21978526 0.88 ITGB2 (0.47) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL21979314 0.88 ITGB2 (0.51) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL21979316 0.88 ITGB2 (0.51) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL21955083 0.85 ITGB2 (0.45) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL21955081 0.85 ITGB2 (0.45) ITGB2ICAM1ITGALITGA4ITGB1
SCHEMBL21979213 0.84 ITGB2 (0.40) ITGB2ICAM1ITGALITGA4ITGB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
EP-3873605-A1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 EP disclosed
CN-112969504-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2021-06-15 CN disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 ITGB2 5/4885ICAM1 32/4885ITGAL 6/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 ITGB2 9/4885ICAM1 36/4885ITGAL 10/4885
US-20220152014-A1 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.