SCHEMBL2386645

SCHEMBL2386645

S=C(S)NCCNC(=S)S.[Na]

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.63
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.63
ALOX15 P16050 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 1/20 0.63
THRB P10828 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL3231234 1.00 HSD17B10 (0.63) HSD17B10ALDH1A1HPGDALOX15CYP2C9
SCHEMBL83488 0.96 HSD17B10 (0.67) HSD17B10ALDH1A1HPGDALOX15CYP2C9
SCHEMBL7923883 0.96 HSD17B10 (0.67) HSD17B10ALDH1A1HPGDALOX15CYP2C9
SCHEMBL30958360 0.93 HSD17B10 (0.63) HSD17B10ALDH1A1HPGDALOX15CYP2C9
Ammonia Solution, Strong SCHEMBL9244428 0.93 HSD17B10 (0.63) HSD17B10ALDH1A1HPGDALOX15CYP2C9
SCHEMBL7123762 0.93 HSD17B10 (0.63) HSD17B10ALDH1A1HPGDALOX15CYP2C9
SCHEMBL9420257 0.93 HSD17B10 (0.63) HSD17B10ALDH1A1HPGDALOX15CYP2C9
Ammonia Solution, Strong SCHEMBL415941 0.93 HSD17B10 (0.63) HSD17B10ALDH1A1HPGDALOX15CYP2C9
SCHEMBL10931171 0.93 HSD17B10 (0.63) HSD17B10ALDH1A1HPGDALOX15CYP2C9
SCHEMBL4367057 0.93 HSD17B10 (0.63) HSD17B10ALDH1A1HPGDALOX15CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11242268-B2 Compound heavy metal chelating agent containing dithiocarboxylate functionalized ethoxylated pentaerythritol core hyperbranched polymer SHANDONG XINTAI WATER TREATMENT TECHNOLOGY CO., LTD. (CN) 2022-02-08 US disclosed
US-20200377391-A1 Compound heavy metal chelating agent containing dithiocarboxylate functionalized ethoxylated pentaerythritol core hyperbranched polymer SHANDONG XINTAI WATER TREATMENT TECHNOLOGY CO., LTD. 2020-12-03 US disclosed
EP-1930318-B1 Process for producing diphenyl sulfone compound NIPPON SODA CO (JP) 2017-03-08 EP disclosed
EP-3053441-A1 BIOCIDAL COMPOSITION COMPRISING A THIOL GROUP MODULATING ENZYME INHIBITOR AND PYRION COMPOUND Janssen Pharmaceutica NV (BE) 2016-08-10 EP disclosed
EP-1273570-B1 PROCESS FOR PRODUCING DIPHENYL SULFONE COMPOUND NIPPON SODA CO (JP) 2013-07-17 EP disclosed
EP-2369928-A2 BIOCIDAL COMPOSITIONS COMPRISING THIOL GROUP MODULATING ENZYME INHIBITORS AND PYRION COMPOUNDS Janssen Pharmaceutica NV (BE) 2011-10-05 EP disclosed
US-20110230522-A1 BIOCIDAL COMPOSITIONS COMPRISING THIOL GROUP MODULATING ENZYME INHIBITORS AND PYRION COMPOUNDS JANSSEN PHARMACEUTICA, NV (BE) 2011-09-22 US disclosed
WO-2010060948-A2 BIOCIDAL COMPOSITIONS COMPRISING THIOL GROUP MODULATING ENZYME INHIBITORS AND PYRION COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-06-03 WO disclosed
US-7619120-B2 Processes for the preparation of diphenylsulfone compounds NIPPON SODA CO., LTD. (JP) 2009-11-17 US disclosed
EP-1930318-A2 Process for producing diphenyl sulfone compound Nippon Soda Co., Ltd. (JP) 2008-06-11 EP disclosed
US-20050065377-A1 Processes for the preparation of diphenylsulfone compounds NIPPON SODA CO., LTD 2005-03-24 US disclosed
US-6831201-B2 Aqueous solution containing dihydroxydiphenyl sulfone monoether compound is adjusted pH to a preset value, extracted with an organic solvent and separated to an organic and an aqueous layers, and that water or water adjusted to a fixed pH NIPPON SODA CO., LTD. (JP) 2004-12-14 US disclosed
US-20030092941-A1 Process for producing diphenyl sulfone compound NIPPON SODA CO., LTD. (JP) 2003-05-15 US disclosed
EP-1273570-A1 PROCESS FOR PRODUCING DIPHENYL SULFONE COMPOUND NIPPON SODA CO., LTD. (JP) 2003-01-08 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 (5 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-11242268-B2 Compound heavy metal chelating agent containing dithiocarboxylate functionalized ethoxylated pentaerythritol core hyperbranched polymer EXOC1, PF4, AP1G1 HSD17B10 4628/4885ALDH1A1 2397/4885HPGD 3045/4885
US-20110230522-A1 BIOCIDAL COMPOSITIONS COMPRISING THIOL GROUP MODULATING ENZYME INHIBITORS AND PYRION COMPOUNDS TALDO1, BLVRB, POR HSD17B10 127/4885ALDH1A1 406/4885HPGD 260/4885
US-20200377391-A1 Compound heavy metal chelating agent containing dithiocarboxylate functionalized ethoxylated pentaerythritol core hyperbranched polymer EXOC1, PF4, AP1G1 HSD17B10 4605/4885ALDH1A1 2431/4885HPGD 3217/4885
US-20030092941-A1 Process for producing diphenyl sulfone compound ASH2L, AP2S1, HACL2 HSD17B10 2476/4885ALDH1A1 943/4885HPGD 4623/4885
US-20050065377-A1 Processes for the preparation of diphenylsulfone compounds AP2S1, ASH2L, SRMS HSD17B10 1832/4885ALDH1A1 1118/4885HPGD 4142/4885

“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.