SCHEMBL22016558

SCHEMBL22016558

Cc1cc(N2CCOC[C@@H]2C(F)(F)F)cc(F)c1C(=O)N[C@@H](Cc1ccc(-c2c(C)c(C(F)(F)F)cn(C)c2=O)c2c1COC2)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 16/20 0.34
ITGB1 P05556 15/20 0.34
ITGB7 P26010 13/20 0.34
RAF1 P04049 2/20 0.32
BRAF P15056 1/20 0.32
PIK3C3 Q8NEB9 2/20 0.30

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
SCHEMBL21955187 0.97 ITGA4 (0.34) ITGA4ITGB1ITGB7RAF1BRAF
SCHEMBL21955189 0.97 ITGA4 (0.34) ITGA4ITGB1ITGB7RAF1BRAF
SCHEMBL21955190 0.97 ITGA4 (0.34) ITGA4ITGB1ITGB7RAF1BRAF
SCHEMBL22016842 0.96 ITGA4 (0.34) ITGA4ITGB1ITGB7RAF1BRAF
SCHEMBL22016851 0.92 ITGA4 (0.33) ITGA4ITGB1ITGB7RAF1BRAF
SCHEMBL22016806 0.91 CNR2 (0.32) RAF1BRAFPIK3C3
SCHEMBL29736236 0.91 CNR2 (0.32) RAF1BRAFPIK3C3
SCHEMBL22016559 0.90 ITGA4 (0.44) ITGA4ITGB1ITGB7PIK3C3
SCHEMBL22016986 0.88 ITGB1 (0.34) ITGA4ITGB1ITGB7RAF1BRAF
SCHEMBL21954993 0.87 ITGA4 (0.44) ITGA4ITGB1ITGB7PIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ITGA4 3/4885ITGB1 4/4885ITGB7 1/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 ITGA4 3/4885ITGB1 4/4885ITGB7 1/4885

“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.