SCHEMBL4998963

SCHEMBL4998963

N#Cc1ncccc1-c1cc(CCNC(=O)O)cn1S(=O)(=O)c1c(F)cccc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.34
EED O75530 2/20 0.33
SUZ12 Q15022 2/20 0.33
EZH2 Q15910 2/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HIF1A Q16665 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
F10 P00742 1/20 0.30
POLB P06746 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 2/20 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
SCHEMBL5002594 0.90 ALOX5AP (0.35) PTGDR2MEN1KMT2AKDM4EMAPT
SCHEMBL2408483 0.87 IDE (0.35) PTGDR2MEN1KMT2AALDH1A1HPGD
SCHEMBL4999119 0.87 GRM4 (0.37) PTGDR2MEN1KMT2AKDM4EMAPT
SCHEMBL2410817 0.84 SLC40A1 (0.34) PTGDR2KDM4EALDH1A1NPC1RAB9A
SCHEMBL5008412 0.84 RAB9A (0.34) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL5005952 0.83 NPC1 (0.32) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL5008718 0.83 ALDH1A1 (0.39) KMT2AMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL5002575 0.83 PTGDR2 (0.39) PTGDR2KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL1581086 0.83 EED (0.37) PTGDR2EEDSUZ12EZH2KDM4E
SCHEMBL5002744 0.83 IDE (0.36)

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 3 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
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 PTGDR2 2285/4885EED 4396/4885SUZ12 3876/4885

“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.