SCHEMBL22017003

SCHEMBL22017003

CC[C@@H](Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3ccc(F)c4cccnc34)c3ncccc23)C(=O)O)c(F)c1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 10/20 0.38
ICAM1 P05362 10/20 0.38
ITGAL P20701 10/20 0.38
ITGB1 P05556 7/20 0.34
ITGA4 P13612 6/20 0.34
DGAT2 Q96PD7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP2 P08253 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGB5 P18084 1/20 0.32

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
SCHEMBL22016938 0.90 ITGA4 (0.36) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL22016400 0.89 ITGB2 (0.35) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL22016395 0.89 ITGB2 (0.35) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL22017016 0.89 ITGB1 (0.36) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL22016399 0.89 ITGB1 (0.36) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL22017218 0.89 ITGB2 (0.35) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL22017535 0.88 ITGB1 (0.36) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL21957127 0.88 GSK3B (0.38) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL21957112 0.88 ITGB1 (0.34) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL21957122 0.88 GSK3B (0.38) 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.