SCHEMBL4430813

SCHEMBL4430813

CN(Cc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccc(F)cc2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.40
LIMK2 P53671 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH3A1 P30838 1/20 0.36
GAA P10253 1/20 0.36
KCNA5 P22460 1/20 0.35

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
SCHEMBL5002780 0.94 TNFSF11 (0.38) KMT2ALIMK2NPSR1GAA
SCHEMBL4414362 0.91 HTR6 (0.39) KMT2APKMLIMK2NPSR1ALDH1A1
SCHEMBL4426085 0.90 PTGDR2 (0.44) KMT2APKMLIMK2NPSR1ALDH1A1
SCHEMBL3903795 0.90 PTGDR2 (0.34) KMT2APKMLIMK2NPSR1ALDH1A1
SCHEMBL5008567 0.89 GRM4 (0.41) KMT2APKMNPSR1ALDH1A1LMNA
SCHEMBL3914395 0.89 NAMPT (0.39) PKMALDH1A1LMNAGAA
SCHEMBL2412446 0.89 POLB (0.37) KMT2APKMLIMK2ALDH1A1LMNA
SCHEMBL4413582 0.88 GRM4 (0.40) KMT2APKMNPSR1ALDH1A1LMNA
SCHEMBL4413576 0.87 GRM4 (0.40) KMT2APKMNPSR1ALDH1A1LMNA
SCHEMBL2414740 0.87 HTR2C (0.37) KMT2APKMNPSR1

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 5 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-2114917-A2 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-11-11 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
WO-2008108380-A2 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-12 WO 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 KMT2A 1066/4885PKM 705/4885LIMK2 4772/4885

“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.