SCHEMBL4131510

SCHEMBL4131510

N#Cc1ccc(S(=O)(=O)c2cc(CCNC(=O)O)nn2-c2ccccc2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
SLC40A1 Q9NP59 1/20 0.34
NAMPT P43490 2/20 0.33
HIF1A Q16665 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 2/20 0.32
S1PR1 P21453 1/20 0.32
SCN9A Q15858 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
CYP3A4 P08684 1/20 0.31
CTSA P10619 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTT P42858 1/20 0.31
EEF2K O00418 1/20 0.31
PTGS1 P23219 1/20 0.31
RORC P51449 1/20 0.31
CHEK1 O14757 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
SCHEMBL4130432 0.88 NAMPT (0.39) EPHX2NAMPTSMN1; SMN2PTGS2CYP3A4
SCHEMBL4130559 0.87 GAA (0.39) EPHX2NAMPTSMN1; SMN2PTGS2KCNQ3
SCHEMBL4135106 0.84 NAMPT (0.41) NAMPTSMN1; SMN2SCN9ACYP3A4CTSA
SCHEMBL4132304 0.84 CYP3A4 (0.39) NAMPTSCN9ACYP3A4CTSA
SCHEMBL4131207 0.83 THRB (0.40) NAMPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4123189 0.83 SLC40A1 (0.36) EPHX2SLC40A1SMN1; SMN2PTGS2S1PR1
SCHEMBL3699103 0.83 HTR2A (0.33) EPHX2SLC40A1SMN1; SMN2PTGS2S1PR1
SCHEMBL4125823 0.81 NAMPT (0.38) EPHX2NAMPTPTGS2SCN9A
SCHEMBL4135640 0.81 NAMPT (0.37) EPHX2NAMPTSMN1; SMN2PTGS2
SCHEMBL4131518 0.80 SCN9A (0.37) EPHX2NAMPTSMN1; SMN2PTGS2SCN9A

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 EPHX2 711/4885SLC40A1 2890/4885NAMPT 2129/4885

“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.