SCHEMBL22016277

SCHEMBL22016277

COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(F)cc(NC(C)C(F)(F)F)cc2F)C(=O)O)c2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.46
ITGB7 P26010 20/20 0.46
ITGB1 P05556 12/20 0.46

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
SCHEMBL22016279 1.00 ITGA4 (0.46) ITGA4ITGB7ITGB1
SCHEMBL21957229 0.88 ITGA4 (0.53) ITGA4ITGB7ITGB1
SCHEMBL21957234 0.88 ITGA4 (0.53) ITGA4ITGB7ITGB1
SCHEMBL22016603 0.85 ITGB1 (0.35) ITGA4ITGB7ITGB1
SCHEMBL21978544 0.84 ITGA4 (0.47) ITGA4ITGB7ITGB1
SCHEMBL22016654 0.84 ITGB1 (0.48) ITGA4ITGB7ITGB1
SCHEMBL21978545 0.84 ITGA4 (0.47) ITGA4ITGB7ITGB1
SCHEMBL22016662 0.84 ITGB1 (0.48) ITGA4ITGB7ITGB1
SCHEMBL22017293 0.83 ITGB1 (0.38) ITGA4ITGB7ITGB1
SCHEMBL21957424 0.83 ITGB1 (0.48) ITGA4ITGB7ITGB1

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