SCHEMBL4703676

SCHEMBL4703676

COc1ccc(CCNC(=O)C(F)(F)F)cc1S(=O)(=O)/N=C/N(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.42
ALK Q9UM73 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL4703678 1.00 INSR (0.42) INSRALKSMN1; SMN2CA12CA1
SCHEMBL4699335 0.90 KMT2A (0.39) INSRALKSMN1; SMN2GAA
SCHEMBL4699337 0.90 KMT2A (0.39) INSRALKSMN1; SMN2GAA
SCHEMBL4700319 0.90 INSR (0.38) INSRALKSMN1; SMN2ALDH1A1HTT
SCHEMBL4700317 0.90 INSR (0.38) INSRALKSMN1; SMN2ALDH1A1HTT
SCHEMBL6193870 0.89 POLB (0.39) INSRALKSMN1; SMN2ALDH1A1
SCHEMBL6193876 0.89 POLB (0.39) INSRALKSMN1; SMN2ALDH1A1
SCHEMBL6195591 0.89 INSR (0.37) INSRALKSMN1; SMN2CA1CA2
SCHEMBL6195592 0.89 INSR (0.37) INSRALKSMN1; SMN2CA1CA2
SCHEMBL7108409 0.88 ALDH1A1 (0.41) INSRALKSMN1; SMN2ALDH1A1HTT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335902-B1 HETEROARYLACRYLOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM SANOFI AVENTIS DEUTSCHLAND (DE) 2008-10-08 EP disclosed
EP-1401419-A1 BENZENESULFONYL(THIO)UREAS FOR THE TREATMENT OF SEPTIC SHOCK AND SIRS Aventis Pharma Deutschland GmbH (DE) 2004-03-31 EP disclosed
EP-1183236-B1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA GMBH (DE) 2003-10-22 EP disclosed
EP-1335902-A1 HETEROARYLACRYLOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2003-08-20 EP disclosed
US-20030083385-A1 Use of benzenesulfonyl (thioureas or ure as) for treating of septic shock or gene ralized inflammatory syndrome GERLACH UWE (DE) 2003-05-01 US disclosed
WO-2003000244-A1 BENZENESULFONYL(THIO)UREAS FOR THE TREATMENT OF SEPTIC SHOCK AND SIRS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-01-03 WO disclosed
US-6472413-B2 FOR THERAPY OF VAGAL DYSFUNCTION IN THE HEART, IMPROVING CARDIAC FUNCTION, THERAPY OF PERSON SUSCEPTIBLE TO CARDIAC DEATH ADVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-10-29 US disclosed
US-20020123495-A1 Heteroarylacryloylaminoalkyl-substituted benzenesulfonamide derivatives, their preparation, their use and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-09-05 US disclosed
WO-2002036565-A1 HETEROARYLACRYLOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-05-10 WO disclosed
EP-1183236-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP disclosed
US-6350778-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-02-26 US disclosed
WO-2000071513-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-30 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 (2 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-20020123495-A1 Heteroarylacryloylaminoalkyl-substituted benzenesulfonamide derivatives, their preparation, their use and pharmaceutical preparations comprising them KCNJ11, HCN3, CACNA1E INSR 1814/4885ALK 1088/4885SMN1; SMN2 843/4885
US-20030083385-A1 Use of benzenesulfonyl (thioureas or ure as) for treating of septic shock or gene ralized inflammatory syndrome UTS2R, EIF2S1, TST INSR 2359/4885ALK 937/4885SMN1; SMN2 2948/4885

“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.