SCHEMBL139017

SCHEMBL139017

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 2/20 0.53
CA7 P43166 1/20 0.53
TSHR P16473 1/20 0.50
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
CA12 O43570 2/20 0.48
CA5A P35218 1/20 0.48
NLRP3 Q96P20 1/20 0.47
USP2 O75604 1/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL9633827 0.93 MTNR1A (0.49) CA1CA2CA9CA14CA7
SCHEMBL9632017 0.92 ADRA1D (0.46) CA1CA2CA9CA14CA7
SCHEMBL143837 0.88 INSR (0.48) CA1CA2CA9CA12
SCHEMBL1968355 0.83 CA12 (0.66) CA1CA2CA9CA12
SCHEMBL16416372 0.83 CA12 (0.51) CA1CA2CA9CA12
SCHEMBL5913864 0.83 CA12 (0.51) CA1CA2CA9CA12
SCHEMBL3769977 0.81 CA1 (0.47) CA1CA2CA9CA14CA7
SCHEMBL7273625 0.81 INSR (0.50) CA1CA2CA9ADRA1ACA12
SCHEMBL5010714 0.81 ALDH1A1 (0.55) TSHR
SCHEMBL4703676 0.81 INSR (0.42) CA1CA2CA9CA12

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 US disclosed
EP-2408769-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS Glaxo Group Limited (GB) 2012-01-25 EP disclosed
WO-2010106016-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2010-09-23 WO disclosed
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-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-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-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
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
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
EP-0331943-B1 PHENOXYETHYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR EXHIBITING EXCELLENT ALPHA-1-BLOCKING ACTIVITY CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1992-06-17 EP disclosed
US-4971990-A HYPOTENSIVE AGENTS, DYSUREA HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
EP-0331943-A1 Phenoxyethylamine derivatives, process for preparing the same, and composition for exhibiting excellent alpha-1-blocking activity containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-09-13 EP 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 (4 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-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS DTYMK, ITK, DCK CA1 4732/4885CA2 3571/4885CA9 3791/4885
US-20020123495-A1 Heteroarylacryloylaminoalkyl-substituted benzenesulfonamide derivatives, their preparation, their use and pharmaceutical preparations comprising them KCNJ11, HCN3, CACNA1E CA1 3993/4885CA2 1194/4885CA9 4302/4885
US-20030083385-A1 Use of benzenesulfonyl (thioureas or ure as) for treating of septic shock or gene ralized inflammatory syndrome UTS2R, EIF2S1, TST CA1 2059/4885CA2 780/4885CA9 1868/4885
US-20020123494-A1 Acylaminoalkyl-substituted benzenesulfonamide derivatives, their preparation, their use and pharmaceutical preparations comprising them KCNJ11, KCNJ1, KCNA1 CA1 2193/4885CA2 438/4885CA9 3450/4885

“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.