SCHEMBL22017259

SCHEMBL22017259

CC[C@@H](Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3cc(OC)cn(C)c3=O)c3ncccc23)C(=O)O)c(F)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.35
ITGA4 P13612 11/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGB6 P18564 1/20 0.35
ITGB8 P26012 1/20 0.35
DGAT2 Q96PD7 2/20 0.34
ITGB7 P26010 6/20 0.33
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
HCRTR2 O43614 1/20 0.32
ALB P02768 1/20 0.31
IL2 P60568 1/20 0.31
PDE2A O00408 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
BRD7 Q9NPI1 1/20 0.31

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
SCHEMBL22017282 0.91 S1PR1 (0.34) ITGB1ITGA4ITGB7S1PR1S1PR3
SCHEMBL21957397 0.87 ITGB1 (0.44) ITGB1ITGA4ITGB7S1PR1S1PR3
SCHEMBL22016699 0.87 ITGB1 (0.44) ITGB1ITGA4ITGB7S1PR1S1PR3
SCHEMBL22016944 0.87 ITGB1 (0.35) ITGB1ITGA4ITGB7S1PR1S1PR3
SCHEMBL22016581 0.86 ITGA4 (0.34) ITGB1ITGA4ITGAVITGA5ITGB6
SCHEMBL22017536 0.86 ITGB1 (0.34) ITGB1ITGA4ITGAVITGA5ITGB7
SCHEMBL22017284 0.86 ITGB1 (0.34) ITGB1ITGA4ITGAVITGA5ITGB7
SCHEMBL22017003 0.86 ITGB2 (0.38) ITGB1ITGA4ITGAVITGA5DGAT2
SCHEMBL22016317 0.86 S1PR1 (0.39) ITGB1ITGA4ITGB7S1PR1S1PR3
SCHEMBL22017532 0.85 ITGB1 (0.39) ITGB1ITGA4ITGB7S1PR1S1PR3

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 3235/4885ITGAV 3124/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ITGB1 3359/4885ITGA4 3235/4885ITGAV 3124/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B ITGB1 2/4885ITGA4 4/4885ITGAV 12/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 ITGB1 3359/4885ITGA4 3235/4885ITGAV 3124/4885

“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.