SCHEMBL4699828

SCHEMBL4699828

CN(C)/C=N/S(=O)(=O)c1cc(CCNC(=O)C(F)(F)F)ccc1I

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.34
MTNR1B P49286 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
INSR P06213 1/20 0.33
ALK Q9UM73 1/20 0.33
GSTO1 P78417 1/20 0.33
STS P08842 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
NQO2 P16083 1/20 0.32

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
SCHEMBL4699831 1.00 MTNR1A (0.34) MTNR1AMTNR1BCA1CA2INSR
SCHEMBL6192810 0.88 KDM4E (0.39) MTNR1AMTNR1BCA1CA2STS
SCHEMBL6192812 0.88 KDM4E (0.39) MTNR1AMTNR1BCA1CA2STS
Bromide SCHEMBL4702158 0.88 KDM4E (0.38) MTNR1AMTNR1BCA1CA2STS
Bromide SCHEMBL4702162 0.88 KDM4E (0.38) MTNR1AMTNR1BCA1CA2STS
SCHEMBL4703678 0.86 INSR (0.42) CA1CA2INSRALKGAA
SCHEMBL4703676 0.86 INSR (0.42) CA1CA2INSRALKGAA
SCHEMBL4699335 0.84 KMT2A (0.39) INSRALKLMNAGAA
SCHEMBL4699337 0.84 KMT2A (0.39) INSRALKLMNAGAA
SCHEMBL6193876 0.83 POLB (0.39) MTNR1AMTNR1BINSRALK

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 10 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-1345892-B1 ACYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA GMBH (DE) 2005-03-09 EP disclosed
EP-1345892-A2 ACYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES Aventis Pharma Deutschland GmbH (DE) 2003-09-24 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-6511989-B2 For therapy of vagal dysfunction in the heart, improving cardiac function, therapy of person susceptible to cardiac death AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-01-28 US 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
US-20020123494-A1 Acylaminoalkyl-substituted benzenesulfonamide derivatives, their preparation, their use and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-09-05 US disclosed
WO-2002036556-A2 ACYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-05-10 WO 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

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 MTNR1A 1246/4885MTNR1B 1255/4885CA1 3993/4885
US-20020123494-A1 Acylaminoalkyl-substituted benzenesulfonamide derivatives, their preparation, their use and pharmaceutical preparations comprising them KCNJ11, KCNJ1, KCNA1 MTNR1A 1189/4885MTNR1B 1091/4885CA1 2193/4885

“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.