SCHEMBL4131238

SCHEMBL4131238

CN(Cc1nc(-c2cccnc2F)c(S(=O)(=O)c2cccnc2)s1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
PTGER2 P43116 8/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
FEN1 P39748 1/20 0.33
LMNA P02545 2/20 0.32
HTR2C P28335 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
SCHEMBL4139202 0.92 DHODH (0.35) NAMPTLMNA
SCHEMBL4132293 0.91 NAMPT (0.39) NAMPTTAS2R14PTGER2GPBAR1TP53
SCHEMBL4125986 0.88 ALDH1A1 (0.40) NAMPTGPBAR1
SCHEMBL4127577 0.88 HTR6 (0.38) HTR2C
SCHEMBL3648527 0.88 ABCC9 (0.35) NAMPTABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3648530 0.87 ABCC9 (0.35) ABCC9ABCC8KCNJ11KCNJ8TAS2R14
SCHEMBL4125426 0.86 HTR2A (0.37) HTR2C
SCHEMBL3648852 0.85 NFE2L2 (0.39) NAMPTTAS2R14POLB
SCHEMBL4118448 0.84 DHODH (0.33) GPBAR1
SCHEMBL3655779 0.83 PDE4A (0.40) NAMPTTAS2R14POLB

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 2129/4885ABCC9 455/4885ABCC8 995/4885

“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.