SCHEMBL21977916

SCHEMBL21977916

Cn1cc(-c2ccc(C[C@H](NC(=O)c3c(F)cc(N[C@H](c4ccccc4)C(F)(F)F)cc3F)C(=O)O)n3ccnc23)c(=O)n(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 18/20 0.43
ITGB1 P05556 17/20 0.43
ITGB7 P26010 14/20 0.43
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL21977922 1.00 ITGA4 (0.43) ITGA4ITGB1ITGB7HCRTR1HCRTR2
SCHEMBL21977919 1.00 ITGA4 (0.43) ITGA4ITGB1ITGB7HCRTR1HCRTR2
SCHEMBL21977701 0.91 ITGA4 (0.43) ITGA4ITGB1ITGB7
SCHEMBL21977700 0.91 ITGA4 (0.43) ITGA4ITGB1ITGB7
SCHEMBL21977766 0.90 ITGA4 (0.43) ITGA4ITGB1ITGB7HCRTR2
SCHEMBL21977764 0.90 ITGA4 (0.43) ITGA4ITGB1ITGB7HCRTR2
SCHEMBL23778768 0.83 ITGB1 (0.34) ITGA4ITGB1ITGB7
SCHEMBL21977635 0.83 ITGB1 (0.34) ITGA4ITGB1ITGB7
SCHEMBL21977632 0.83 ITGB1 (0.34) ITGA4ITGB1ITGB7
SCHEMBL22037325 0.83 ITGA4 (0.37) ITGA4ITGB1S1PR1S1PR3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873900-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GILEAD SCIENCES INC (US) 2025-01-08 EP disclosed
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2022-05-05 US disclosed
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2022-05-05 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 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 (3 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-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR ITGA4 960/4885ITGB1 1459/4885ITGB7 1490/4885
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR ITGA4 960/4885ITGB1 1459/4885ITGB7 1490/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR ITGA4 960/4885ITGB1 1459/4885ITGB7 1490/4885

“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.