SCHEMBL22016317

SCHEMBL22016317

CC[C@@H](Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3cn(C)c(=O)cc3C(F)(F)F)c3ncccc23)C(=O)O)c(F)c1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.39
S1PR3 Q99500 10/20 0.39
ITGB1 P05556 6/20 0.36
ITGA4 P13612 6/20 0.36
ITGB7 P26010 4/20 0.36
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 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
SCHEMBL21957397 0.89 ITGB1 (0.44) S1PR1S1PR3ITGB1ITGA4ITGB7
SCHEMBL22016699 0.89 ITGB1 (0.44) S1PR1S1PR3ITGB1ITGA4ITGB7
SCHEMBL22017532 0.89 ITGB1 (0.39) S1PR1S1PR3ITGB1ITGA4ITGB7
SCHEMBL22017282 0.88 S1PR1 (0.34) S1PR1S1PR3ITGB1ITGA4ITGB7
SCHEMBL22016219 0.88 ITGB1 (0.38) S1PR1S1PR3ITGB1ITGA4ITGB7
SCHEMBL22017003 0.88 ITGB2 (0.38) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL22016938 0.86 ITGA4 (0.36) S1PR1S1PR3ITGB1ITGA4ITGB7
SCHEMBL22016617 0.86 ITGB1 (0.49) S1PR1S1PR3ITGB1ITGA4ITGB7
SCHEMBL22017259 0.86 ITGB1 (0.35) S1PR1S1PR3ITGB1ITGA4ITGB7
SCHEMBL21957315 0.86 ITGB1 (0.49) S1PR1S1PR3ITGB1ITGA4ITGB7

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 S1PR1 2464/4885S1PR3 2798/4885ITGB1 3359/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 S1PR1 2464/4885S1PR3 2798/4885ITGB1 3359/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B S1PR1 2070/4885S1PR3 2136/4885ITGB1 2/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 S1PR1 2464/4885S1PR3 2798/4885ITGB1 3359/4885

“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.