SCHEMBL4590559

SCHEMBL4590559

CS(=O)(=O)OCCCc1ccc(-c2ccccc2F)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.46
CYP11B2 P19099 2/20 0.46
GRM2 Q14416 1/20 0.42
SCD O00767 1/20 0.39
IL4I1 Q96RQ9 1/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.36
GCK P35557 1/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35
LTB4R Q15722 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
SCHEMBL4591244 0.80 NPC1 (0.43) CYP11B1CYP11B2GRM2SCDNPC1
SCHEMBL4590539 0.80 RAB9A (0.46) CYP11B1CYP11B2NPC1RAB9ANFKB1
SCHEMBL4590809 0.76 CYP11B1 (0.54) CYP11B1CYP11B2GRM2IL4I1NPC1
SCHEMBL4591034 0.76 CYP11B1 (0.51) CYP11B1CYP11B2GRM2IL4I1NPC1
SCHEMBL22454021 0.73 CYP11B1 (0.53) CYP11B1CYP11B2GRM2IL4I1NPC1
SCHEMBL27726713 0.73 CYP11B1 (0.53) CYP11B1CYP11B2GRM2IL4I1NPC1
SCHEMBL25214525 0.73 DAO (0.43)
SCHEMBL30469149 0.73 DAO (0.43)
SCHEMBL15060601 0.72 CYP11B1 (0.59) CYP11B1CYP11B2GRM2IL4I1NPC1
SCHEMBL5759646 0.72 TAS2R14 (0.41) CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518976-B2 e.g. 1-(3-(6-(2-fluorophenyl)pyridin-3-yl)propyl)-1H-pyridin-2-one; endothelial nitric oxide NO synthase inhibitor; antiinflammatory, hypotensive agent; atherosclerosis, thrombosis, coronary artery disease, and cardiac insufficiency SANOFI (FR) 2013-08-27 US disclosed
CN-101208328-B Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals SANOFI AVENTIS 2012-02-29 CN disclosed
EP-1899321-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2011-12-28 EP disclosed
US-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-17 US disclosed
CN-101208328-A Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals SANOFI AVENTIS (FR) 2008-06-25 CN disclosed
EP-1899321-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-03-19 EP disclosed
EP-1741709-A1 Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
WO-2007000246-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 WO 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-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals TBXAS1, PTGIS, NOS2 CYP11B1 30/4885CYP11B2 51/4885GRM2 2000/4885

“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.