SCHEMBL5087796

SCHEMBL5087796

Cc1cc(Nc2ccc(S(F)(F)(F)(F)F)cc2)c(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 12/20 0.53
AKR1C2 P52895 12/20 0.53
PTGS1 P23219 2/20 0.53
TAS2R14 Q9NYV8 2/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.37
WDR5 P61964 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL5089733 0.88 AKR1C3 (0.42) AKR1C3AKR1C2PTGS1ALDH1A1EPHX2
SCHEMBL5096556 0.87 AKR1C3 (0.59) AKR1C3AKR1C2PTGS1TAS2R14PTGS2
SCHEMBL8292135 0.84 SLC9A1 (0.57)
SCHEMBL5089742 0.76 AKR1C3 (0.48) AKR1C3AKR1C2PTGS1TAS2R14PTGS2
SCHEMBL31046834 0.75 WDR5 (0.40) AKR1C3AKR1C2PTGS1TAS2R14PTGS2
SCHEMBL8633408 0.75 ALDH1A1 (0.39) PTGS1PTGS2ALDH1A1
SCHEMBL8635463 0.74 AKR1C3 (0.45) AKR1C3AKR1C2ALDH1A1
SCHEMBL8631102 0.73 AKR1C3 (0.47) AKR1C3AKR1C2ALDH1A1
SCHEMBL14176840 0.73 SLC9A1 (0.54)
SCHEMBL8634356 0.72 AKR1C3 (0.49) AKR1C3AKR1C2EPHX2

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
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
WO-2005021492-A1 PENTAFLUOROSULFANYL PHENYL-SUBSTITUTED BENZOYLGUANIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AGENTS AND MEDICAMENT CONTAINING SAID COMPOUNDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-03-10 WO 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.