SCHEMBL4999119

SCHEMBL4999119

N#Cc1ncccc1-c1cc(CCNC(=O)O)cn1S(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.37
PPME1 Q9Y570 1/20 0.36
LMNA P02545 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PIK3CA P42336 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
NR3C2 P08235 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NAMPT P43490 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ACLY P53396 1/20 0.31
POLB P06746 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
SCHEMBL5002594 0.92 ALOX5AP (0.35) L3MBTL1PTGDR2MAPTKDM4EMEN1
SCHEMBL4998963 0.87 PTGDR2 (0.34) LMNAL3MBTL1PTGDR2MAPTKDM4E
SCHEMBL5008412 0.85 RAB9A (0.34) PIK3C3KDM4EKMT2ARAB9A
SCHEMBL2410817 0.85 SLC40A1 (0.34) PTGDR2KDM4ERAB9AALOX5APFEN1
SCHEMBL2408483 0.85 IDE (0.35) PTGDR2MEN1KMT2A
SCHEMBL5002575 0.85 PTGDR2 (0.39) GRM4PTGDR2KMT2APOLB
SCHEMBL1580625 0.84 PPME1 (0.40) GRM4PPME1LMNAPIK3C3PIK3CA
Hydrochloric Acid SCHEMBL2409367 0.84 PPME1 (0.39) GRM4PPME1LMNAPIK3C3PIK3CA
SCHEMBL5002599 0.84 L3MBTL1 (0.41) L3MBTL1PIK3CANR3C2MAPTKDM4E
SCHEMBL4410586 0.83 PPME1 (0.36) GRM4PPME1LMNAPIK3C3PTGDR2

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 GRM4 840/4885PPME1 1233/4885LMNA 3758/4885

“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.