SCHEMBL22017511

SCHEMBL22017511

CSc1c(C(F)(F)F)cc(C)n(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.34
ITGB1 P05556 4/20 0.33
ITGA4 P13612 4/20 0.33
ITGB7 P26010 4/20 0.33
COMT P21964 1/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PGR P06401 3/20 0.32
TP53 P04637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD11B1 P28845 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
SCHEMBL14818821 0.78 AR (0.37) ARITGB1ITGA4ITGB7COMT
SCHEMBL1689752 0.75 AR (0.35) ARITGB1ITGA4ITGB7COMT
SCHEMBL20051737 0.75 AR (0.35) ARITGB1ITGA4ITGB7COMT
SCHEMBL24437199 0.75 COMT (0.40) ARITGB1ITGA4ITGB7COMT
SCHEMBL20051827 0.72 ITGB1 (0.37) ARITGB1ITGA4ITGB7COMT
SCHEMBL14803746 0.72 ITGB1 (0.36) ARITGB1ITGA4ITGB7COMT
SCHEMBL15700364 0.71 GRIA1 (0.35) ARITGB1ITGA4ITGB7COMT
SCHEMBL22016883 0.70 ITGB1 (0.32) ARITGB1ITGA4ITGB7COMT
SCHEMBL20051302 0.66 ITGB1 (0.34) ARITGB1ITGA4ITGB7KDM4E
SCHEMBL24437107 0.66 KDM5B (0.33) KDM4E

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-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 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 (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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 AR 3803/4885ITGB1 3359/4885ITGA4 3235/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 AR 3803/4885ITGB1 3359/4885ITGA4 3235/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 AR 3803/4885ITGB1 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.