SCHEMBL2409114

SCHEMBL2409114

CNC(OC(=O)/C=C/C(=O)O)c1cc(-c2cccnc2F)n(S(=O)(=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
PMP22 Q01453 1/20 0.35
USP9X Q93008 8/20 0.33
PKM P14618 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NAMPT P43490 1/20 0.32
GLO1 Q04760 1/20 0.32
PKLR P30613 1/20 0.32
CHRM5 P08912 1/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
APLNR P35414 1/20 0.31
GLRA3 O75311 1/20 0.31
GLRB P48167 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2410308 0.88 GRM4 (0.32) PKM
SCHEMBL2410380 0.88 HCAR2 (0.34)
SCHEMBL2413149 0.86 MET (0.36)
SCHEMBL1278208 0.85 KAT5 (0.32) KDM4E
SCHEMBL2412359 0.84 MET (0.40) NAMPTGLO1
SCHEMBL2410504 0.84
SCHEMBL2409967 0.83
SCHEMBL2412826 0.83 HCAR2 (0.32)
Fumaric Acid SCHEMBL2409116 0.82 LMNA (0.40) LMNAPMP22USP9XPKMTDP1
Fumaric Acid SCHEMBL2409112 0.82 LMNA (0.40) LMNAPMP22USP9XPKMTDP1

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 6 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
EP-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 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
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 WO 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 LMNA 3758/4885PMP22 4630/4885USP9X 3621/4885

“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.