SCHEMBL5002575

SCHEMBL5002575

N#Cc1ncccc1-c1cc(CCNC(=O)O)cn1S(=O)(=O)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
MET P08581 1/20 0.37
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.33
EPHX2 P34913 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX7 Q99572 2/20 0.32
POLB P06746 1/20 0.32
GRM4 Q14833 1/20 0.32

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
SCHEMBL2410817 0.90 SLC40A1 (0.34) PTGDR2ALDH1A1
SCHEMBL5008412 0.90 RAB9A (0.34) CA12CA1CA2CA9KMT2A
SCHEMBL5002594 0.90 ALOX5AP (0.35) PTGDR2KMT2AALDH1A1POLB
SCHEMBL2408483 0.88 IDE (0.35) PTGDR2METKMT2AALDH1A1
SCHEMBL4999119 0.85 GRM4 (0.37) PTGDR2KMT2APOLBGRM4
SCHEMBL1580800 0.84 MET (0.40) PTGDR2METALDH1A1P2RX7
SCHEMBL4998963 0.83 PTGDR2 (0.34) PTGDR2KMT2AALDH1A1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL2411305 0.83 MET (0.40) PTGDR2METALDH1A1P2RX7
SCHEMBL5005952 0.83 NPC1 (0.32) KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL5008718 0.83 ALDH1A1 (0.39) KMT2AALDH1A1SMN1; SMN2

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 2285/4885MET 1010/4885CA12 2079/4885

“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.