SCHEMBL5087619

SCHEMBL5087619

COC(=O)c1cc(S(C)(=O)=O)c(-c2ccc(S(F)(F)(F)(F)F)cc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.48
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
VCAM1 P19320 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP46A1 Q9Y6A2 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
SCHEMBL8610225 0.86 SLC9A1 (0.63) SLC9A1PTGS2KDM4ECYP1A2CYP2D6
SCHEMBL8608047 0.83 PTGS2 (0.52) SLC9A1PTGS2KDM4ESLC6A4SLC6A3
SCHEMBL5090694 0.82 NR1I2 (0.40) SLC9A1KDM4ECYP2C9VCAM1SMN1; SMN2
SCHEMBL5089733 0.81 AKR1C3 (0.42) KDM4EVCAM1SMN1; SMN2HSD17B10
SCHEMBL2947868 0.81 KCNQ3 (0.42) KDM4EVCAM1SMN1; SMN2HSD17B10
SCHEMBL8291548 0.80 SLC9A1 (0.77) SLC9A1
SCHEMBL5087646 0.80 KDM4E (0.39) PTGS2KDM4EVCAM1SMN1; SMN2HSD17B10
SCHEMBL4277107 0.78 SLC9A1 (0.39) SLC9A1KDM4EVCAM1SMN1; SMN2HSD17B10
SCHEMBL6749760 0.75 SLC9A1 (0.54) SLC9A1KDM4EVCAM1SMN1; SMN2HSD17B10
SCHEMBL8610266 0.75 SLC9A1 (0.50) SLC9A1PTGS2KDM4ECYP1A2CYP2D6

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-1658266-B1 PENTAFLUOROSULFANYL PHENYL-SUBSTITUTED BENZOYLGUANIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AGENTS AND MEDICAMENT CONTAINING SAID COMPOUNDS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-08-11 EP disclosed
US-7381841-B2 Cardiovascular disorders; antiischemic agenst SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-06-03 US disclosed
US-7381841-B2 Cardiovascular disorders; antiischemic agenst SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-06-03 US disclosed
US-7381841-B2 Cardiovascular disorders; antiischemic agenst SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-06-03 US disclosed
US-20050043401-A1 Pentafluorosulfanylphenyl-substituted benzoylguanidines, processes for their preparation, their use as medicament or diagnostic aid, and medicament comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 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-20050043401-A1 Pentafluorosulfanylphenyl-substituted benzoylguanidines, processes for their preparation, their use as medicament or diagnostic aid, and medicament comprising them TNNI3, TNNT2, RYR2 SLC9A1 1325/4885PTGS2 383/4885KDM4E 3966/4885

“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.