SCHEMBL2059345

SCHEMBL2059345

FC(F)(F)C(Cl)(Cl)SCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
PRMT1 Q99873 1/20 0.46
CES1 P23141 3/20 0.38
IDO1 P14902 3/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOB P27338 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP2C19 P33261 1/20 0.33
CALM1 P0DP23 1/20 0.33

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
SCHEMBL24191173 0.78 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6PRMT1CES1
SCHEMBL10655602 0.78 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6PRMT1CES1
SCHEMBL6849329 0.78 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6PRMT1IDO1
SCHEMBL2154643 0.78 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6PRMT1CES1
SCHEMBL11262637 0.76 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6PRMT1CES1
SCHEMBL9430438 0.73 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6PRMT1CES1
SCHEMBL24191057 0.72 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6PRMT1CES1
SCHEMBL11844477 0.69 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6PRMT1IDO1
SCHEMBL11840817 0.69 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6PRMT1IDO1
SCHEMBL5680420 0.69 CYP2D6 (0.63) CYP1A2CYP3A4CYP2D6PRMT1IDO1

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
US-7968743-B2 Thiocarbonylthio compound and free radical polymerization employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2011-06-28 US disclosed
US-7968743-B2 Thiocarbonylthio compound and free radical polymerization employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2011-06-28 US disclosed
US-20100048844-A1 THIOCARBONYLTHIO COMPOUND AND FREE RADICAL POLYMERIZATION EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-02-25 US disclosed
US-20100048844-A1 THIOCARBONYLTHIO COMPOUND AND FREE RADICAL POLYMERIZATION EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-02-25 US disclosed
US-7632959-B2 free-radical polymerization process of vinyl monomer in the presence of the above thiocarbonylthio compound; molecular weight control and narrow polydispersity INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-12-15 US disclosed
US-7632959-B2 free-radical polymerization process of vinyl monomer in the presence of the above thiocarbonylthio compound; molecular weight control and narrow polydispersity INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-12-15 US disclosed
US-20060270867-A1 Thiocarbonylthio compound and free radical polymerization employing the same MEDIATEK INCORPORATION 2006-11-30 US disclosed
EP-0623609-B1 Process for the preparation of perfluoroalkoxy or perfluoroalkylthiobenzenes BAYER AG (DE) 1998-09-16 EP disclosed
US-5463088-A Process for preparing perfluoroalkoxy (alkylthio) benzenes BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0623609-A1 Process for the preparation of perfluoroalkoxy or perfluoroalkylthiobenzenes BAYER AG (DE) 1994-11-09 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 (1 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-20060270867-A1 Thiocarbonylthio compound and free radical polymerization employing the same FFAR3, CBR3, CTH CYP1A2 1519/4885CYP3A4 1340/4885CYP2D6 1631/4885

“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.