SCHEMBL22016603

SCHEMBL22016603

COc1c(-c2ccc(C[C@H](NC(=O)c3c(F)cc(N[C@H](C)C(F)(F)F)cc3F)C(=O)O)c3cccnc23)c(=O)n(C)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 13/20 0.35
ITGA4 P13612 12/20 0.35
ITGAV P06756 2/20 0.35
ITGA5 P08648 2/20 0.35
ITGB8 P26012 2/20 0.35
ITGB6 P18564 1/20 0.35
ITGB7 P26010 11/20 0.35
KDM4E B2RXH2 2/20 0.34
NSD2 O96028 1/20 0.34
MAPT P10636 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL21957087 0.92 ITGB1 (0.35) ITGB1ITGA4ITGAVITGA5ITGB8
SCHEMBL21957084 0.92 ITGB1 (0.35) ITGB1ITGA4ITGAVITGA5ITGB8
SCHEMBL21957332 0.88 ITGA4 (0.45) ITGB1ITGA4ITGAVITGA5ITGB8
SCHEMBL31027372 0.88 ITGA4 (0.45) ITGB1ITGA4ITGAVITGA5ITGB8
SCHEMBL21957335 0.88 ITGA4 (0.45) ITGB1ITGA4ITGAVITGA5ITGB8
SCHEMBL22016217 0.88 ITGB1 (0.36) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL22016654 0.86 ITGB1 (0.48) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL22016662 0.86 ITGB1 (0.48) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL22016277 0.85 ITGA4 (0.46) ITGB1ITGA4ITGB7
SCHEMBL22017293 0.85 ITGB1 (0.38) ITGB1ITGA4ITGAVITGA5ITGB8

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.