SCHEMBL22032034

SCHEMBL22032034

COC(=O)[C@H](Cc1ccc(B2OC(C)(C)C(C)(C)O2)c2ccccc12)NC(=O)c1c(F)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.37
CNR1 P21554 1/20 0.34
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PIK3C3 Q8NEB9 3/20 0.32
ITGA4 P13612 2/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 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
SCHEMBL29671133 1.00 CNR2 (0.37) CNR2CNR1NR1H2NR1H3HSP90AA1
SCHEMBL21978590 0.94 ITGA4 (0.36) CNR2PIK3C3ITGA4ITGB2ICAM1
SCHEMBL21978588 0.94 ITGA4 (0.36) CNR2PIK3C3ITGA4ITGB2ICAM1
SCHEMBL21978589 0.94 ITGA4 (0.36) CNR2PIK3C3ITGA4ITGB2ICAM1
SCHEMBL29671160 0.91 CNR2 (0.34) CNR2CNR1NR1H2NR1H3HSP90AA1
SCHEMBL22031963 0.91 CNR2 (0.34) CNR2CNR1NR1H2NR1H3HSP90AA1
SCHEMBL29736274 0.90 CNR2 (0.32) CNR2CNR1PIK3C3
SCHEMBL22016475 0.90 CNR2 (0.32) CNR2CNR1PIK3C3
SCHEMBL22031971 0.89 PIK3C3 (0.31) PIK3C3
SCHEMBL29671137 0.87 CNR2 (0.41) CNR2CNR1PIK3C3ITGA4ITGB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
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 (3 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 3604/4885CNR1 3218/4885NR1H2 1116/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 CNR2 3501/4885CNR1 3285/4885NR1H2 2015/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 CNR2 3604/4885CNR1 3218/4885NR1H2 1116/4885

“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.