SCHEMBL22016961

SCHEMBL22016961

O=C(N[C@@H](Cc1ccc(-c2c(Cl)cc(F)cc2Cl)c2ncccc12)C(=O)O)c1c(F)cc(NC(c2ccccc2)C(F)(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 10/20 0.38
ICAM1 P05362 10/20 0.38
ITGAL P20701 10/20 0.38
ITGB1 P05556 6/20 0.37
ITGA4 P13612 4/20 0.37
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ITGA5 P08648 2/20 0.34
ITGAV P06756 1/20 0.34
ITGB8 P26012 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.33

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
SCHEMBL22016959 1.00 ITGB2 (0.38) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL21978783 0.95 ITGB2 (0.38) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL21978786 0.95 ITGB2 (0.38) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL21978780 0.95 ITGB2 (0.38) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL29221902 0.88 DGAT2 (0.36) ITGB2ICAM1ITGALCNR1CNR2
SCHEMBL29671135 0.88 DGAT2 (0.36) ITGB2ICAM1ITGALCNR1CNR2
SCHEMBL21957213 0.87 ITGB2 (0.36) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL21957208 0.87 ITGB2 (0.36) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL21957211 0.87 ITGB2 (0.36) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL21955019 0.85 ITGB2 (0.49) ITGB2ICAM1ITGALITGB1ITGA4

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 ITGB2 2856/4885ICAM1 2630/4885ITGAL 2423/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ITGB2 2856/4885ICAM1 2630/4885ITGAL 2423/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B ITGB2 7/4885ICAM1 36/4885ITGAL 8/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 ITGB2 2856/4885ICAM1 2630/4885ITGAL 2423/4885

“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.