SCHEMBL5089733

SCHEMBL5089733

COC(=O)c1cc(S(C)(=O)=O)c(Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
PTGS1 P23219 1/20 0.42
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDK1 P06493 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
EPHX2 P34913 1/20 0.35
VCAM1 P19320 1/20 0.35
HPGD P15428 2/20 0.35
MAPK10 P53779 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CMA1 P23946 1/20 0.34

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
SCHEMBL5087796 0.88 AKR1C3 (0.53) AKR1C3AKR1C2PTGS1ALDH1A1EPHX2
SCHEMBL5089742 0.88 AKR1C3 (0.48) AKR1C3AKR1C2PTGS1MAPTALOX15
SCHEMBL8292135 0.82 SLC9A1 (0.57)
SCHEMBL5087619 0.81 SLC9A1 (0.48) KDM4ESMN1; SMN2HSD17B10VCAM1
SCHEMBL5090694 0.80 NR1I2 (0.40) KDM4ESMN1; SMN2HSD17B10CDK1ALDH1A1
SCHEMBL2947868 0.79 KCNQ3 (0.42) KDM4ESMN1; SMN2HSD17B10VCAM1HPGD
SCHEMBL5087646 0.78 KDM4E (0.39) PTGS1MAPTALOX15KDM4ESMN1; SMN2
SCHEMBL5096556 0.76 AKR1C3 (0.59) AKR1C3AKR1C2PTGS1MAPTMEN1
SCHEMBL4277107 0.76 SLC9A1 (0.39) MAPTKDM4ESMN1; SMN2HSD17B10VCAM1
SCHEMBL8580625 0.75 SLC9A1 (0.45) MAPTKDM4ESMN1; SMN2HSD17B10ALDH1A1

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 AKR1C3 2866/4885AKR1C2 3538/4885PTGS1 172/4885

“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.