SCHEMBL5609717

SCHEMBL5609717

CC(CCS)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.57
TAAR1 Q96RJ0 3/20 0.54
TRPA1 O75762 3/20 0.48
AOC3 Q16853 2/20 0.48
HTR2A P28223 2/20 0.45
HRH1 P35367 2/20 0.45

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
SCHEMBL5609879 0.86 RIPK1 (0.53) RIPK1TAAR1TRPA1AOC3HTR2A
SCHEMBL16360942 0.86 RIPK1 (0.53) RIPK1TAAR1TRPA1AOC3HTR2A
SCHEMBL6280516 0.85 RIPK1 (0.67) RIPK1TAAR1TRPA1AOC3
SCHEMBL1861354 0.85 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3HTR2A
SCHEMBL5213988 0.82 RIPK1 (0.64) RIPK1TAAR1TRPA1AOC3
Lithium SCHEMBL30777534 0.82 RIPK1 (0.64) RIPK1TAAR1TRPA1AOC3
SCHEMBL23710142 0.80 TAAR1 (0.58) RIPK1TAAR1TRPA1AOC3
SCHEMBL14644971 0.80 TAAR1 (0.58) RIPK1TAAR1TRPA1AOC3
SCHEMBL901919 0.80 TAAR1 (0.58) RIPK1TAAR1TRPA1AOC3
SCHEMBL23047599 0.79 RIPK1 (0.55) RIPK1TAAR1TRPA1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037955-A4 CORROSION INHIBITOR FOR ALKANOLAMINE UNITS BETZDEARBORN INC (US) 2002-11-05 EP claimed
EP-1037955-A1 CORROSION INHIBITOR FOR ALKANOLAMINE UNITS BetzDearborn Inc (US) 2000-09-27 EP claimed
US-5985179-A ALKANEMONOTHIOL AND ALKANEDITHIOL COMPOUNDS FOR INHIBITING THE CORROSION OF METALS IN BOTH THE ACID GAS RICH AND LEAN PORTIONS OF THE ACID GAS REMOVAL UNIT, AQUEOUS ALKANOLAMINE SOLUTION BETZDEARBORN, INC. (US) 1999-11-16 US claimed
WO-1999010448-A1 CORROSION INHIBITOR FOR ALKANOLAMINE UNITS BETZDEARBORN INC. (US) 1999-03-04 WO claimed
US-5843299-A Corrosion inhibitor for alkanolamine units BETZDEARBORN INC. (US) 1998-12-01 US claimed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0542117-B1 Process for the preparation of aryle esters of chloroformic acid BASF AG (DE) 1995-09-13 EP disclosed
US-5274164-A Preparation of aryl chloroformates BASF AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
EP-0542117-A1 Process for the preparation of aryle esters of chloroformic acid BASF Aktiengesellschaft (DE) 1993-05-19 EP disclosed
EP-0542132-A1 Process for the preparation of aryle esters of chloroformic acid BASF Aktiengesellschaft (DE) 1993-05-19 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 (3 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-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 RIPK1 731/4885TAAR1 3666/4885TRPA1 3169/4885
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 RIPK1 2345/4885TAAR1 1548/4885TRPA1 1681/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 RIPK1 731/4885TAAR1 3666/4885TRPA1 3169/4885

“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.