SCHEMBL22017166

SCHEMBL22017166

COc1cc(C)n(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(C)cc(N3CCOC[C@@H]3C(F)(F)F)cc2F)C(=O)O)c2c1CCC2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.36
ITGA4 P13612 14/20 0.36
ITGB7 P26010 13/20 0.36
USP2 O75604 1/20 0.30
MAPK1 P28482 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
SCHEMBL22017728 0.94 ITGB1 (0.35) ITGB1ITGA4ITGB7
SCHEMBL22017169 0.92 ITGA4 (0.43) ITGB1ITGA4ITGB7
SCHEMBL21955259 0.91 ITGB1 (0.35) ITGB1ITGA4ITGB7USP2MAPK1
SCHEMBL21955261 0.91 ITGB1 (0.35) ITGB1ITGA4ITGB7USP2MAPK1
SCHEMBL21955257 0.91 ITGB1 (0.35) ITGB1ITGA4ITGB7USP2MAPK1
SCHEMBL22016541 0.91 ITGB1 (0.38) ITGB1ITGA4ITGB7USP2MAPK1
SCHEMBL22996668 0.89 ITGB1 (0.43) ITGB1ITGA4ITGB7
SCHEMBL22016844 0.89 ITGA4 (0.44) ITGB1ITGA4ITGB7
SCHEMBL21979254 0.88 ITGB1 (0.38) ITGB1ITGA4ITGB7
SCHEMBL21979252 0.88 ITGB1 (0.38) ITGB1ITGA4ITGB7

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.