SCHEMBL2409254

SCHEMBL2409254

CN(Cc1cn(S(=O)(=O)c2cccc(C(=O)O)c2)c(-c2cccnc2F)c1F)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KAT8 Q9H7Z6 1/20 0.33
APEX1 P27695 1/20 0.32
MAPT P10636 1/20 0.32
IL1RN P18510 1/20 0.32
HTR2C P28335 4/20 0.32
SLC6A4 P31645 4/20 0.32
AKR1C3 P42330 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTR2A P28223 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
SCHEMBL4420269 0.91 HTR6 (0.37) F2KAT8HTR2CSLC6A4HTR2A
SCHEMBL2407588 0.90 MET (0.38) F2KAT8HTR2CSLC6A4HTR2A
SCHEMBL2408606 0.90 TDP1 (0.37) MEN1KMT2AHTR2CSLC6A4
SCHEMBL2411540 0.89 MET (0.41) F2LMNA
SCHEMBL2409035 0.89 HTR2C (0.35) F2MEN1KMT2AKAT8HTR2C
SCHEMBL2415887 0.89 HTR2C (0.34) F2MEN1KMT2AKAT8HTR2C
SCHEMBL2409555 0.89 HSD17B10 (0.39) MEN1KMT2AKAT8AKR1C3ALDH1A1
SCHEMBL2410115 0.88 RORC (0.38) KAT8
SCHEMBL2411933 0.88 HTR2C (0.33) F2KAT8HTR2CSLC6A4HTR2A
SCHEMBL2411042 0.87 HTR6 (0.33) F2KAT8HTR2CSLC6A4HTR2A

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 F2 1698/4885MEN1 413/4885KMT2A 1066/4885

“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.