SCHEMBL22016581

SCHEMBL22016581

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 14/20 0.34
ITGB1 P05556 13/20 0.34
ITGB7 P26010 11/20 0.34
KDR P35968 4/20 0.34
MET P08581 3/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
IGF1R P08069 1/20 0.33
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGB6 P18564 1/20 0.32
ITGB8 P26012 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
BRD7 Q9NPI1 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
SCHEMBL22016219 0.91 ITGB1 (0.38) ITGA4ITGB1ITGB7
SCHEMBL22016652 0.90 ITGB1 (0.41) ITGA4ITGB1ITGB7KDRMET
SCHEMBL22016944 0.87 ITGB1 (0.35) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL21957155 0.87 ITGB2 (0.45) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL21957157 0.87 ITGB2 (0.45) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL21957087 0.86 ITGB1 (0.35) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL21957084 0.86 ITGB1 (0.35) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL22017259 0.86 ITGB1 (0.35) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL22017532 0.86 ITGB1 (0.39) ITGA4ITGB1ITGB7
SCHEMBL22016936 0.86 ITGA4 (0.37) ITGA4ITGB1ITGB7

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