SCHEMBL22017282

SCHEMBL22017282

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
ITGA4 P13612 12/20 0.34
ITGB1 P05556 11/20 0.34
ITGB7 P26010 10/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
TACR1 P25103 2/20 0.33
KDM4E B2RXH2 2/20 0.32
BRD4 O60885 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL22017259 0.91 ITGB1 (0.35) S1PR1S1PR3ITGA4ITGB1ITGB7
SCHEMBL21957397 0.88 ITGB1 (0.44) S1PR1S1PR3ITGA4ITGB1ITGB7
SCHEMBL22016317 0.88 S1PR1 (0.39) S1PR1S1PR3ITGA4ITGB1ITGB7
SCHEMBL22016699 0.88 ITGB1 (0.44) S1PR1S1PR3ITGA4ITGB1ITGB7
SCHEMBL22017532 0.88 ITGB1 (0.39) S1PR1S1PR3ITGA4ITGB1ITGB7
SCHEMBL22016944 0.88 ITGB1 (0.35) S1PR1S1PR3ITGA4ITGB1ITGB7
SCHEMBL22017536 0.87 ITGB1 (0.34) S1PR1S1PR3ITGA4ITGB1ITGB7
SCHEMBL22017284 0.87 ITGB1 (0.34) S1PR1S1PR3ITGA4ITGB1ITGB7
SCHEMBL22017003 0.87 ITGB2 (0.38) ITGA4ITGB1ITGB2ICAM1ITGAL
SCHEMBL21957127 0.86 GSK3B (0.38) ITGA4ITGB1ITGB7ITGB2ICAM1

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 2798/4885ITGA4 3235/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 S1PR1 2464/4885S1PR3 2798/4885ITGA4 3235/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B S1PR1 2070/4885S1PR3 2136/4885ITGA4 4/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 S1PR1 2464/4885S1PR3 2798/4885ITGA4 3235/4885

“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.