SCHEMBL25824493

SCHEMBL25824493

Cc1nc(-c2nnn(C)c2NC(=O)OC(C)c2ccccc2F)ccc1NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 19/20 0.45
LPAR3 Q9UBY5 11/20 0.43
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35

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
SCHEMBL23383939 1.00 LPAR1 (0.45) LPAR1LPAR3CHRNB2CHRNB4CHRNA3
SCHEMBL23383994 0.94 LPAR1 (0.41) LPAR1LPAR3
SCHEMBL29948284 0.94 LPAR1 (0.41) LPAR1LPAR3
SCHEMBL23384394 0.92 LPAR1 (0.44) LPAR1LPAR3
SCHEMBL30073407 0.92 LPAR1 (0.44) LPAR1LPAR3
SCHEMBL23489634 0.90 LPAR1 (0.38) LPAR1LPAR3
SCHEMBL30482799 0.90 LPAR1 (0.38) LPAR1LPAR3
SCHEMBL25824396 0.90 LPAR1 (0.41) LPAR1LPAR3
SCHEMBL23384388 0.90 LPAR1 (0.38) LPAR1LPAR3
SCHEMBL30073434 0.90 LPAR1 (0.40) LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 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 (1 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-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 LPAR1 2/4885LPAR3 1/4885CHRNB2 3209/4885

“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.