SCHEMBL1017170

SCHEMBL1017170

CS(=O)(=O)c1cc(CBr)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.37
EDNRA P25101 2/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
PLCG1 P19174 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
NPC1 O15118 1/20 0.32
NR2F2 P24468 1/20 0.32
NOD2 Q9HC29 1/20 0.32
GSTO1 P78417 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL27488000 0.85 EDNRB (0.35) EDNRBEDNRAL3MBTL1PLCG1CA1
SCHEMBL1017626 0.85 L3MBTL1 (0.40) L3MBTL1NPC1NR2F2NOD2CYP4F2
SCHEMBL16656644 0.83 EDNRB (0.36) EDNRBEDNRAL3MBTL1PLCG1CA1
SCHEMBL31734456 0.81 CCR2 (0.37) L3MBTL1
SCHEMBL1016405 0.81 CCR2 (0.37) L3MBTL1
SCHEMBL1015882 0.79 GSTO1 (0.44) L3MBTL1GSTO1CYP4F2CYP4A11ALDH1A1
SCHEMBL5756302 0.78 L3MBTL1 (0.55) L3MBTL1CA1CA2NPC1NR2F2
SCHEMBL5756525 0.78 CA2 (0.37) L3MBTL1CA1CA2CA4CA6
SCHEMBL29405486 0.78 EDNRB (0.41) EDNRBEDNRANPC1NR2F2NOD2
SCHEMBL22409170 0.78 EDNRB (0.41) EDNRBEDNRANPC1NR2F2NOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271624-B9 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
EP-2271624-B1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-05-21 EP disclosed
US-8481569-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-09 US disclosed
US-7985863-B2 Iminopyridine derivatives and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-26 US disclosed
US-7985862-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-26 US disclosed
US-7982044-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-19 US disclosed
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-17 US disclosed
EP-1053224-B1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA GMBH (DE) 2002-08-21 EP disclosed
US-6372917-B1 INHIBIT CELLULAR SODIUM ION-DEPENDENT CHLORIDE ION/BICARBONATE-EXCHANGE MECHANISM OR SODIUM/BICARBONATE SYMPORTER; TREATMENT OF ALL ACUTE OR CHRONIC DAMAGE CAUSED BY ISCHEMIA OR ILLNESSES INDUCED THEREBY AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-16 US disclosed
US-6369236-B1 DRUG FOR MEDICAL DIAGNOSIS ANTIARRHYTHMIC PROPRIETIES AND CONTAIN A CARDIOPROTECTIVE COMPOUND. THEY CAN PREVENTIVELY INHIBIT OR STRONGLY REDUCE PATHOPHYSIOLOGIC PROCESSES UPON OCCURRENCE OF ISCHEMIC INJURIES, ESPECIALLY ISCHEMIC CARDIAC AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
US-6369069-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
EP-1097140-A2 BIPHENYLSULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES, THEIR PREPARATION PROCESS, THEIR USE AS A DRUG OR DIAGNOSTIC AGENT AND DRUG CONTAINING THEM Aventis Pharma Deutschland GmbH (DE) 2001-05-09 EP disclosed
EP-1097141-A1 IMIDAZOLE DERIVATIVES WITH BIPHENYLSULFONYL SUBSTITUTION, METHOD FOR PREPARING THEM AND THEIR USE AS A DRUG OR DIAGNOSTIC AGENT Aventis Pharma Deutschland GmbH (DE) 2001-05-09 EP disclosed
EP-1053224-A1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT Aventis Pharma Deutschland GmbH (DE) 2000-11-22 EP disclosed
WO-2000003996-A1 IMIDAZOLE DERIVATIVES WITH BIPHENYLSULFONYL SUBSTITUTION, METHOD FOR PREPARING THEM AND THEIR USE AS A DRUG OR DIAGNOSTIC AGENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed
WO-2000003994-A2 BIPHENYLSULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES, THEIR PREPARATION PROCESS, THEIR USE AS A DRUG OR DIAGNOSTIC AGENT AND DRUG CONTAINING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed
WO-1999040064-A1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-08-12 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 (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-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 EDNRB 118/4885EDNRA 42/4885L3MBTL1 3347/4885
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF ADRA1D, ADRB1, ADRB2 EDNRB 127/4885EDNRA 46/4885L3MBTL1 3542/4885
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 EDNRB 118/4885EDNRA 42/4885L3MBTL1 3347/4885
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 EDNRB 118/4885EDNRA 42/4885L3MBTL1 3347/4885

“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.