SCHEMBL2409079

SCHEMBL2409079

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.37
OXTR P30559 7/20 0.36
AVPR2 P30518 3/20 0.36
AVPR1A P37288 3/20 0.36
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35
NAMPT P43490 4/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.32
MEN1 O00255 1/20 0.32
PABPC1 P11940 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
SCHEMBL2194090 0.89 PTGDR2 (0.33) MMP2MMP9MMP8MMP13NAMPT
SCHEMBL4570001 0.89 OXTR (0.34) TAS2R14OXTRAVPR2AVPR1AMMP2
SCHEMBL4570003 0.88 TAS2R14 (0.35) TAS2R14OXTRAVPR2AVPR1AMMP2
SCHEMBL2413180 0.87 HTR6 (0.37) TAS2R14NAMPTLMNAALDH1A1
SCHEMBL5008551 0.86 NFE2L2 (0.34) OXTRAVPR2AVPR1AMMP2MMP9
SCHEMBL2409474 0.86 HTR6 (0.36) MMP2MMP9MMP8MMP13PTGDR2
SCHEMBL2409083 0.85 NAMPT (0.38) TAS2R14OXTRAVPR2AVPR1AMMP2
SCHEMBL5005965 0.84 MET (0.44) TAS2R14MMP2MMP9MMP8MMP13
SCHEMBL3914985 0.84 TAS2R14 (0.39) TAS2R14OXTRAVPR2AVPR1AMMP2
SCHEMBL4570002 0.84 TAS2R14 (0.33) TAS2R14OXTRAVPR2AVPR1AMMP2

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 TAS2R14 1739/4885OXTR 808/4885AVPR2 142/4885

“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.