SCHEMBL23489602

SCHEMBL23489602

OC(c1ccccc1F)C(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
CYP3A4 P08684 6/20 0.41
CYP2D6 P10635 4/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
KCNH2 Q12809 4/20 0.41
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
GAA P10253 1/20 0.38
CNR2 P34972 1/20 0.37
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL23489601 1.00 CES2 (0.47) CES2CES1CYP3A4CYP2D6SLC6A2
SCHEMBL11602791 0.90 CES2 (0.54) CES2CES1CYP3A4CYP2D6SLC6A2
SCHEMBL9667214 0.81 PDE2A (0.50) CES2CES1CYP3A4CYP2D6SLC6A2
SCHEMBL536229 0.80 CES2 (0.50) CES2CES1CYP3A4CYP2D6SLC6A2
SCHEMBL252142 0.79 CES2 (0.50) CES2CES1CYP3A4CYP2D6SLC6A2
SCHEMBL11601662 0.79 IDO1 (0.50) CES2CES1CYP3A4CYP2D6SLC6A2
SCHEMBL253183 0.79 CES2 (0.50) CES2CES1CYP3A4CYP2D6SLC6A2
SCHEMBL253771 0.79 CES2 (0.50) CES2CES1CYP3A4CYP2D6SLC6A2
SCHEMBL252144 0.79 CES2 (0.50) CES2CES1CYP3A4CYP2D6SLC6A2
SCHEMBL29528356 0.79 CES2 (0.50) CES2CES1CYP3A4CYP2D6SLC6A2

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 3 patents. 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
US-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-01-10 US disclosed
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2021-06-10 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-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof LPAR3, LPAR1, LPAR2 CES2 749/4885CES1 38/4885CYP3A4 2857/4885
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 CES2 749/4885CES1 38/4885CYP3A4 2857/4885
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 CES2 749/4885CES1 38/4885CYP3A4 2857/4885

“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.