SCHEMBL22017534

SCHEMBL22017534

CC(Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3cn(C)c(=O)n(C)c3=O)c3ncccc23)C(=O)O)c(F)c1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.45
ITGA4 P13612 17/20 0.45
ITGB7 P26010 13/20 0.45
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34

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
SCHEMBL22017283 1.00 ITGB1 (0.45) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL21957397 0.92 ITGB1 (0.44) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL22016699 0.92 ITGB1 (0.44) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL22016298 0.89 ITGA4 (0.45) ITGB1ITGA4ITGB7S1PR1S1PR3
SCHEMBL22017002 0.89 ITGA4 (0.45) ITGB1ITGA4ITGB7S1PR1S1PR3
SCHEMBL22016662 0.88 ITGB1 (0.48) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL22016654 0.88 ITGB1 (0.48) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL22017293 0.84 ITGB1 (0.38) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL21957424 0.84 ITGB1 (0.48) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL21957430 0.84 ITGB1 (0.48) ITGB1ITGA4ITGB7ITGB2ICAM1

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 ITGB1 3359/4885ITGA4 3235/4885ITGB7 2700/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ITGB1 3359/4885ITGA4 3235/4885ITGB7 2700/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B ITGB1 2/4885ITGA4 4/4885ITGB7 1/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 ITGB1 3359/4885ITGA4 3235/4885ITGB7 2700/4885

“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.