SCHEMBL4126978

SCHEMBL4126978

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.34
FEN1 P39748 1/20 0.34
GPBAR1 Q8TDU6 3/20 0.33
SLC40A1 Q9NP59 1/20 0.33
CKS1B P61024 3/20 0.32
SKP2 Q13309 3/20 0.32
PTGER2 P43116 2/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
NAPRT Q6XQN6 1/20 0.31

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
SCHEMBL3782033 0.91 NAMPT (0.37) NAMPTFEN1GPBAR1SLC40A1CKS1B
Fumaric Acid SCHEMBL4120381 0.83 TBXAS1 (0.34) NAMPTFEN1SLC40A1CKS1BSKP2
Fumaric Acid SCHEMBL3652346 0.83 TBXAS1 (0.34) NAMPTFEN1SLC40A1CKS1BSKP2
SCHEMBL4126981 0.83 SLC40A1 (0.34) NAMPTFEN1SLC40A1CKS1BSKP2
SCHEMBL4125901 0.82 NAMPT (0.35) NAMPTFEN1SLC40A1
SCHEMBL4117657 0.81 GPBAR1 (0.33) NAMPTGPBAR1
SCHEMBL3650985 0.81 CYP2A6 (0.39) FEN1SLC40A1CKS1BSKP2L3MBTL1
SCHEMBL4130745 0.80 GPBAR1 (0.40) NAMPTGPBAR1SLC40A1CKS1BSKP2
Fumaric Acid SCHEMBL4130276 0.80 CYP2A6 (0.34) NAMPTFEN1SLC40A1CKS1BSKP2
Fumaric Acid SCHEMBL4130268 0.80 CYP2A6 (0.34) NAMPTFEN1SLC40A1CKS1BSKP2

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 NAMPT 2129/4885FEN1 4656/4885GPBAR1 52/4885

“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.