SCHEMBL1363215

SCHEMBL1363215

CC(C)(C)c1cccs1.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
ALOX5 P09917 2/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
ESR1 P03372 1/20 0.36
FBP1 P09467 1/20 0.35
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CHRM3 P20309 3/20 0.34
TSHR P16473 2/20 0.33
CA2 P00918 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RAF1 P04049 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ACLY P53396 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
SCHEMBL73299 0.97
SCHEMBL23573882 0.95 SMN1; SMN2 (0.40) SMN1; SMN2CNR1CNR2ALOX5PTGS1
SCHEMBL28937212 0.95 SMN1; SMN2 (0.40) SMN1; SMN2CNR1CNR2ALOX5PTGS1
Ammonia Solution, Strong SCHEMBL4425485 0.95 SMN1; SMN2 (0.40) SMN1; SMN2CNR1CNR2ALOX5PTGS1
SCHEMBL28642695 0.86 SMN1; SMN2 (0.39) SMN1; SMN2CNR1CNR2ALOX5PTGS1
Benzenethiol SCHEMBL9763283 0.83 CNR1 (0.33) SMN1; SMN2CNR1CNR2ALOX5PTGS1
SCHEMBL94414 0.81 SMN1; SMN2 (0.41) SMN1; SMN2CNR1CNR2ALOX5PTGS1
SCHEMBL13706022 0.81 CNR1 (0.47) SMN1; SMN2CNR1CNR2ALOX5PTGS1
SCHEMBL9879847 0.79 SMN1; SMN2 (0.40) SMN1; SMN2CNR1CNR2ALOX5PTGS1
SCHEMBL355657 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3845520-B1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR GOODYEAR TIRE & RUBBER (US) 2023-10-25 EP disclosed
US-11685712-B2 Synthesis of monofunctional thiuram accelerator THE GOODYEAR TIRE & RUBBER COMPANY (US) 2023-06-27 US disclosed
US-20230029068-A1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR THE GOODYEAR TIRE & RUBBER COMPANY 2023-01-26 US disclosed
EP-3845520-A1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR The Goodyear Tire & Rubber Company (US) 2021-07-07 EP disclosed
US-20210198194-A1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR THE GOODYEAR TIRE & RUBBER COMPANY 2021-07-01 US disclosed
EP-2552214-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-8067379-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2011-11-29 US disclosed
EP-1730110-B9 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-11-02 EP disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
EP-1730110-B1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2010-06-09 EP disclosed
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-02-22 US disclosed
EP-1730110-A1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2006-12-13 EP disclosed
WO-2005087731-A1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 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 (6 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 SMN1; SMN2 3957/4885CNR1 2744/4885CNR2 3381/4885
US-20230029068-A1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR TST, TERT, MGMT SMN1; SMN2 337/4885CNR1 4591/4885CNR2 4443/4885
US-11685712-B2 Synthesis of monofunctional thiuram accelerator TST, TERT, MGMT SMN1; SMN2 337/4885CNR1 4591/4885CNR2 4443/4885
US-20210198194-A1 SYNTHESIS OF MONOFUNCTIONAL THIURAM ACCELERATOR TST, TERT, MGMT SMN1; SMN2 337/4885CNR1 4591/4885CNR2 4443/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 SMN1; SMN2 4325/4885CNR1 1850/4885CNR2 2813/4885
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease PRSS1, PRSS3, HPN SMN1; SMN2 2871/4885CNR1 2469/4885CNR2 3081/4885

“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.