SCHEMBL2409083

SCHEMBL2409083

COc1ccc(S(=O)(=O)n2cc(CCNC(=O)O)c(F)c2-c2cccnc2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.38
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.34
OXTR P30559 5/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
AVPR2 P30518 2/20 0.34
AVPR1A P37288 2/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL2194096 0.91 NAMPT (0.35) NAMPTPTGDR2ALDH1A1
SCHEMBL5008557 0.87 MTNR1A (0.36) OXTRKMT2AMEN1
SCHEMBL2413187 0.86 ALDH1A1 (0.40) NAMPTALDH1A1
SCHEMBL2409480 0.85 IDE (0.35) NAMPTPTGDR2ALDH1A1
SCHEMBL3914992 0.85 NAMPT (0.38) NAMPTPIK3CDPIK3CAEIF2AK3OXTR
SCHEMBL5005967 0.85 MET (0.43)
SCHEMBL2409079 0.85 TAS2R14 (0.37) NAMPTEIF2AK3OXTRAVPR2AVPR1A
SCHEMBL4570002 0.85 TAS2R14 (0.33) NAMPTEIF2AK3OXTRAVPR2AVPR1A
SCHEMBL1580223 0.84 EIF2AK3 (0.37) NAMPTEIF2AK3OXTRAVPR2AVPR1A
SCHEMBL5002602 0.84 SLC6A9 (0.39) NAMPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114917-B1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2016-08-10 EP disclosed
US-8933105-B2 Pyrrole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
EP-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed
US-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 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-20080262042-A1 1-[5-(2-Fluoropyridin-3-yl)-1-(phenylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine or a salt thereof; acid secretion inhibitor; potassium-competitive acid blocker REN, HRH2, ATP4A NAMPT 2724/4885PIK3CD 1466/4885PIK3CA 1726/4885

“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.