SCHEMBL22017402

SCHEMBL22017402

Cc1cc(N2CCOC[C@@H]2C(F)(F)F)cc(F)c1C(=O)N[C@@H](Cc1ccc(-c2nc(C)c(C)n(C)c2=O)c2c1OCCO2)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.31
ITGB1 P05556 4/20 0.30
ITGA4 P13612 4/20 0.30
ITGB7 P26010 4/20 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
SCHEMBL22016549 0.97 ITGB1 (0.33) PIK3CAITGB1ITGA4ITGB7
SCHEMBL22017733 0.93 ITGB1 (0.30) ITGB1ITGA4ITGB7
SCHEMBL22016551 0.93 ITGB1 (0.30) ITGB1ITGA4ITGB7
SCHEMBL22016833 0.91 CNR2 (0.33) PIK3CA
SCHEMBL21955219 0.90 ITGB1 (0.31) PIK3CAITGB1ITGA4ITGB7
SCHEMBL21955222 0.90 ITGB1 (0.31) PIK3CAITGB1ITGA4ITGB7
SCHEMBL21955223 0.90 ITGB1 (0.31) PIK3CAITGB1ITGA4ITGB7
SCHEMBL22017174 0.90 ITGB1 (0.31) ITGB1ITGA4ITGB7
SCHEMBL22996666 0.89 ITGB1 (0.40) ITGB1ITGA4ITGB7
SCHEMBL22035251 0.88 ITGA4 (0.35) PIK3CAITGB1ITGA4ITGB7

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 PIK3CA 627/4885ITGB1 4/4885ITGA4 3/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 PIK3CA 627/4885ITGB1 4/4885ITGA4 3/4885

“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.