SCHEMBL4126981

SCHEMBL4126981

[2H]C([2H])(CNC(=O)O)c1cc(-c2cccnc2F)c(S(=O)(=O)c2cccnc2)s1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.34
NAMPT P43490 7/20 0.33
CKS1B P61024 3/20 0.33
SKP2 Q13309 3/20 0.33
FEN1 P39748 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
LIPG Q9Y5X9 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
LIPC P11150 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP17A1 P05093 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
SCHEMBL4125903 0.83 NAMPT (0.38) SLC40A1NAMPTLIPGTDP1LIPC
SCHEMBL4126978 0.83 NAMPT (0.34) SLC40A1NAMPTCKS1BSKP2FEN1
Fumaric Acid SCHEMBL3652346 0.82 TBXAS1 (0.34) SLC40A1NAMPTCKS1BSKP2FEN1
Fumaric Acid SCHEMBL4120381 0.82 TBXAS1 (0.34) SLC40A1NAMPTCKS1BSKP2FEN1
SCHEMBL4117665 0.81 LIPG (0.34) NAMPTLIPGLIPC
SCHEMBL3782033 0.80 NAMPT (0.37) SLC40A1NAMPTCKS1BSKP2FEN1
SCHEMBL3650985 0.80 CYP2A6 (0.39) SLC40A1CKS1BSKP2FEN1CYP17A1
SCHEMBL4125700 0.80 ALDH1A1 (0.38) NAMPT
SCHEMBL4130748 0.80 POLB (0.36) SLC40A1NAMPTCKS1BSKP2TDP1
SCHEMBL4126636 0.79 GAA (0.39) NAMPTHSD17B1HSD17B2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 SLC40A1 2890/4885NAMPT 2129/4885CKS1B 3541/4885

“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.