SCHEMBL2412359

SCHEMBL2412359

CNC(OC(=O)/C=C/C(=O)O)c1cc(-c2cccnc2F)n(S(=O)(=O)c2cccc(OC)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.40
NFE2L2 Q16236 4/20 0.35
HTR6 P50406 5/20 0.34
GPR183 P32249 1/20 0.34
HDAC1 Q13547 2/20 0.33
KAT8 Q9H7Z6 1/20 0.33
GLO1 Q04760 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
KAT6A Q92794 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NAMPT P43490 1/20 0.32
FGFR4 P22455 2/20 0.32
DRD2 P14416 1/20 0.32
DHODH Q02127 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
SCHEMBL2410380 0.91 HCAR2 (0.34) METHTR6HDAC1KAT6AHDAC3
SCHEMBL2413149 0.91 MET (0.36) METHDAC1HDAC3HDAC2HDAC10
SCHEMBL1278208 0.88 KAT5 (0.32) HDAC1KAT8
SCHEMBL2410308 0.88 GRM4 (0.32) HDAC1HDAC3HDAC2HDAC10HDAC8
SCHEMBL2410504 0.85
SCHEMBL2409114 0.84 LMNA (0.35) GLO1NAMPT
SCHEMBL2412826 0.84 HCAR2 (0.32) KAT6A
SCHEMBL2409967 0.83
SCHEMBL2413001 0.83
SCHEMBL1278491 0.83 NAMPT (0.33) HDAC1KAT6ANAMPTDHODH

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 MET 1010/4885NFE2L2 4155/4885HTR6 2370/4885

“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.