SCHEMBL2411295

SCHEMBL2411295

CS(=O)(=O)c1cccc(S(=O)(=O)n2cc(C=O)cc2-c2cccnc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.47
PTGS2 P35354 4/20 0.35
PIP4K2A P48426 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PTGS1 P23219 3/20 0.32
KCNH2 Q12809 2/20 0.32
HTR6 P50406 2/20 0.32
ACVR1 Q04771 1/20 0.32
CYP2C9 P11712 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
SCHEMBL1278538 0.88 MET (0.40) METHDAC3HDAC4HDAC1HDAC7
SCHEMBL29265326 0.87 HTR6 (0.39) METHDAC3HDAC4HDAC1HDAC7
SCHEMBL30339778 0.87 HTR6 (0.39) METHDAC3HDAC4HDAC1HDAC7
SCHEMBL1157095 0.85 HTR6 (0.42) METPTGS2HDAC3HDAC4HDAC1
SCHEMBL25199084 0.84 ALDH3A1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31019963 0.84 ALDH3A1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31019965 0.83 PKM (0.44) MET
SCHEMBL25194047 0.83 PKM (0.44) MET
SCHEMBL1156782 0.81 MET (0.39) METPTGS2HDAC3HDAC4HDAC1
SCHEMBL1580941 0.81 MET (0.45) METPTGS2PIP4K2APIP4K2CKCNH2

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 1010/4885PTGS2 2210/4885PIP4K2A 2866/4885

“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.