SCHEMBL2410380

SCHEMBL2410380

CNC(OC(=O)/C=C/C(=O)O)c1cc(-c2cccnc2F)n(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
HDAC3 O15379 2/20 0.30
HDAC4 P56524 2/20 0.30
HDAC1 Q13547 2/20 0.30
HDAC7 Q8WUI4 2/20 0.30
HDAC2 Q92769 2/20 0.30
HDAC10 Q969S8 2/20 0.30
HDAC11 Q96DB2 2/20 0.30
HDAC8 Q9BY41 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC9 Q9UKV0 2/20 0.30
HDAC5 Q9UQL6 2/20 0.30
MET P08581 1/20 0.30
CYP2C19 P33261 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30
PLK1 P53350 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KAT6A Q92794 1/20 0.30
HTR6 P50406 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 0.95 GRM4 (0.32) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1278208 0.94 KAT5 (0.32) HCAR2HDAC1
SCHEMBL2413149 0.93 MET (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2412359 0.91 MET (0.40) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL2412826 0.91 HCAR2 (0.32) HCAR2KAT6A
SCHEMBL2410504 0.90
SCHEMBL2409967 0.88
SCHEMBL2413001 0.88
SCHEMBL2409114 0.88 LMNA (0.35)
SCHEMBL194395 0.86 CHRNB4 (0.36) HCAR2HDAC1KMT2A

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 HCAR2 267/4885HDAC3 326/4885HDAC4 672/4885

“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.