SCHEMBL22017156

SCHEMBL22017156

COC(=O)[C@H](Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)c2c1CCCO2)NC(=O)c1c(F)cc(N2CCOC[C@H]2C(F)(F)F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.35
ITGA4 P13612 6/20 0.35
ITGB7 P26010 6/20 0.35
CNR2 P34972 3/20 0.33
PIK3C3 Q8NEB9 1/20 0.30
CNR1 P21554 1/20 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
SCHEMBL22016568 1.00 ITGB1 (0.35) ITGB1ITGA4ITGB7CNR2PIK3C3
SCHEMBL22016479 0.92 ITGB1 (0.37) ITGB1ITGA4ITGB7CNR2PIK3C3
SCHEMBL22016801 0.91 ITGB1 (0.37) ITGB1ITGA4ITGB7CNR2PIK3C3
SCHEMBL29736443 0.91 ITGB1 (0.37) ITGB1ITGA4ITGB7CNR2PIK3C3
SCHEMBL22016477 0.91 ITGB1 (0.37) ITGB1ITGA4ITGB7CNR2
SCHEMBL22017122 0.91 CNR2 (0.32) ITGB1ITGA4ITGB7CNR2CNR1
SCHEMBL29736327 0.91 ITGB1 (0.37) ITGB1ITGA4ITGB7CNR2
SCHEMBL22016480 0.89 CNR2 (0.32) CNR2
SCHEMBL29736272 0.89 CNR2 (0.32) CNR2
SCHEMBL22016472 0.88 CNR2 (0.32) CNR2CNR1

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 ITGB1 4/4885ITGA4 3/4885ITGB7 1/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885ITGB7 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.