SCHEMBL5087646

SCHEMBL5087646

COC(=O)c1cc(S(C)(=O)=O)c(Sc2ccc(S(F)(F)(F)(F)F)cc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
VCAM1 P19320 2/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8292131 0.81 SLC9A1 (0.57)
SCHEMBL5087619 0.80 SLC9A1 (0.48) KDM4EHSD17B10VCAM1PTGS2SMN1; SMN2
SCHEMBL5090694 0.79 NR1I2 (0.40) KDM4EALDH1A1HPGDHSD17B10VCAM1
SCHEMBL5089733 0.78 AKR1C3 (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL2947868 0.78 KCNQ3 (0.42) KDM4EHPGDHSD17B10VCAM1SMN1; SMN2
SCHEMBL4277107 0.75 SLC9A1 (0.39) KDM4EMAPTHSD17B10VCAM1SMN1; SMN2
SCHEMBL6749760 0.72 SLC9A1 (0.54) KDM4EALDH1A1MAPTHSD17B10VCAM1
SCHEMBL8925017 0.72 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDPTGS1
SCHEMBL8580625 0.71 SLC9A1 (0.45) KDM4EALDH1A1MAPTHSD17B10VCAM1
SCHEMBL5089742 0.71 AKR1C3 (0.48) KDM4EMAPTHSD17B10ALOX15VCAM1

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 KDM4E 3966/4885ALDH1A1 684/4885MAPT 4882/4885

“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.