SCHEMBL22016617

SCHEMBL22016617

CC[C@@H](Nc1cc(F)c(C(=O)N[C@H](Cc2ccc(-c3c(C(F)(F)F)cc(C)n(C)c3=O)c3ncccc23)C(=O)O)c(F)c1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.49
ITGA4 P13612 17/20 0.49
ITGB7 P26010 16/20 0.49
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 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
SCHEMBL21957315 1.00 ITGB1 (0.49) ITGB1ITGA4ITGB7S1PR1S1PR3
SCHEMBL21957313 1.00 ITGB1 (0.49) ITGB1ITGA4ITGB7S1PR1S1PR3
SCHEMBL21956875 0.97 ITGB1 (0.49) ITGB1ITGA4ITGB7
SCHEMBL21956873 0.97 ITGB1 (0.49) ITGB1ITGA4ITGB7
SCHEMBL21957241 0.96 ITGB1 (0.49) ITGB1ITGA4ITGB7
SCHEMBL21957244 0.96 ITGB1 (0.49) ITGB1ITGA4ITGB7
SCHEMBL22016973 0.94 ITGB1 (0.43) ITGB1ITGA4ITGB7S1PR1S1PR3
SCHEMBL22016970 0.94 ITGB1 (0.43) ITGB1ITGA4ITGB7S1PR1S1PR3
SCHEMBL21957269 0.93 ITGB1 (0.52) ITGB1ITGA4ITGB7
SCHEMBL21957273 0.93 ITGB1 (0.52) ITGB1ITGA4ITGB7

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.