SCHEMBL22016833

SCHEMBL22016833

COC(=O)[C@H](Cc1ccc(-c2nc(C)c(C)n(C)c2=O)c2c1OCCO2)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.33
CNR1 P21554 1/20 0.31
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
PIK3C3 Q8NEB9 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
SCHEMBL22016549 0.94 ITGB1 (0.33) PIK3CAPIK3CBPIK3CGPIK3C3
SCHEMBL22016480 0.92 CNR2 (0.32) CNR2
SCHEMBL29736272 0.92 CNR2 (0.32) CNR2
SCHEMBL22017402 0.91 PIK3CA (0.31) PIK3CA
SCHEMBL22016479 0.88 ITGB1 (0.37) CNR2CNR1PIK3C3
SCHEMBL22017162 0.87 CNR2 (0.32) CNR2
SCHEMBL21955219 0.86 ITGB1 (0.31) PIK3CA
SCHEMBL21955222 0.86 ITGB1 (0.31) PIK3CA
SCHEMBL21955223 0.86 ITGB1 (0.31) PIK3CA
SCHEMBL22038241 0.85 CNR2 (0.33) CNR2PIK3C3

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 CNR2 3604/4885CNR1 3218/4885PIK3CA 627/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 CNR2 3604/4885CNR1 3218/4885PIK3CA 627/4885

“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.