SCHEMBL22016601

SCHEMBL22016601

COc1c(-c2ccc(C[C@H](NC(=O)c3c(F)cc(N4CCOCC4C(F)(F)F)cc3F)C(=O)O)c3cccnc23)c(=O)n(C)c2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.33
ITGB1 P05556 9/20 0.33
ITGA4 P13612 6/20 0.33
ITGAV P06756 5/20 0.33
ITGA5 P08648 5/20 0.33
ITGB6 P18564 1/20 0.33
ITGB8 P26012 1/20 0.33
ITGB7 P26010 4/20 0.32
ITGB3 P05106 4/20 0.32
ITGB5 P18084 4/20 0.32
ITGA2B P08514 1/20 0.32
MAPK1 P28482 1/20 0.31
PDE4A P27815 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
ATR Q13535 1/20 0.31
CNR1 P21554 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 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
SCHEMBL22016379 1.00 CNR2 (0.33) CNR2ITGB1ITGA4ITGAVITGA5
SCHEMBL21957435 0.90 ITGB1 (0.35) CNR2ITGB1ITGA4ITGAVITGA5
SCHEMBL21957438 0.90 ITGB1 (0.35) CNR2ITGB1ITGA4ITGAVITGA5
SCHEMBL31027368 0.90 ITGB1 (0.35) CNR2ITGB1ITGA4ITGAVITGA5
SCHEMBL21957433 0.90 ITGB1 (0.35) CNR2ITGB1ITGA4ITGAVITGA5
SCHEMBL21957252 0.89 ITGB1 (0.33) CNR2ITGB1ITGA4ITGAVITGA5
SCHEMBL22016948 0.89 ITGB1 (0.36) ITGB1ITGA4ITGAVITGA5ITGB7
SCHEMBL21957437 0.89 ITGB1 (0.38) ITGB1ITGA4ITGAVITGA5ITGB7
SCHEMBL22016703 0.89 ITGB1 (0.36) ITGB1ITGA4ITGAVITGA5ITGB7
SCHEMBL21957439 0.89 ITGB1 (0.38) ITGB1ITGA4ITGAVITGA5ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES 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 (4 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CNR2 899/4885ITGB1 3359/4885ITGA4 3235/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CNR2 899/4885ITGB1 3359/4885ITGA4 3235/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B CNR2 2982/4885ITGB1 2/4885ITGA4 4/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 CNR2 899/4885ITGB1 3359/4885ITGA4 3235/4885

“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.