SCHEMBL22031442

SCHEMBL22031442

COC(=O)[C@H](Cc1ccc(-c2cc3cnccc3n(C)c2=O)c2cccnc12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
PIK3C3 Q8NEB9 1/20 0.31

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
SCHEMBL22031451 0.94 CNR2 (0.36) CNR2PIK3C3
SCHEMBL29671115 0.94 CNR2 (0.36) CNR2PIK3C3
SCHEMBL22016612 0.90 PIK3C3 (0.32) PIK3C3
SCHEMBL22016611 0.90 PIK3C3 (0.32) PIK3C3
SCHEMBL21978829 0.88 ROCK2 (0.33) CNR2PIK3C3
SCHEMBL21978831 0.88 ROCK2 (0.33) CNR2PIK3C3
SCHEMBL21978822 0.88 ROCK2 (0.33) CNR2PIK3C3
SCHEMBL22016721 0.87 ITGB1 (0.33) PIK3C3
SCHEMBL22016557 0.86 CNR2 (0.31) CNR2
SCHEMBL22035515 0.85 CNR2 (0.36) CNR2

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-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 CNR2 3604/4885PIK3C3 2285/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 CNR2 3501/4885PIK3C3 2138/4885

“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.