SCHEMBL5008567

SCHEMBL5008567

Cc1ccc(S(=O)(=O)n2cc(CN(C)C(=O)O)cc2-c2cccnc2F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.39
CCKAR P32238 1/20 0.39
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KMT2A Q03164 2/20 0.35
TACR1 P25103 1/20 0.35
NAMPT P43490 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
USP19 O94966 1/20 0.33

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
SCHEMBL4413582 0.99 GRM4 (0.40) GRM4PTGDR2CCKARALDH1A1TSHR
SCHEMBL4413576 0.98 GRM4 (0.40) GRM4PTGDR2CCKARALDH1A1TSHR
SCHEMBL4426085 0.93 PTGDR2 (0.44) GRM4PTGDR2CCKARALDH1A1TSHR
SCHEMBL4430813 0.89 KMT2A (0.41) ALDH1A1LMNAMAPTPKMNPSR1
SCHEMBL5002780 0.89 TNFSF11 (0.38) PTGDR2HTTNPSR1KMT2ATACR1
SCHEMBL3903795 0.88 PTGDR2 (0.34) PTGDR2CCKARALDH1A1TSHRLMNA
SCHEMBL2412420 0.88 GRM4 (0.38) GRM4PTGDR2CCKARTACR1NAMPT
SCHEMBL4414362 0.88 HTR6 (0.39) PTGDR2ALDH1A1TSHRPKMHTT
SCHEMBL2412424 0.87 PTGDR2 (0.39) GRM4PTGDR2CCKARALDH1A1TSHR
SCHEMBL3914395 0.85 NAMPT (0.39) PTGDR2ALDH1A1TSHRLMNAPKM

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 840/4885PTGDR2 2285/4885CCKAR 49/4885

“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.