SCHEMBL45253

SCHEMBL45253

CCC(=O)SCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
IDO1 P14902 9/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CYP2C19 P33261 1/20 0.46
PAM P19021 1/20 0.46
GAA P10253 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL20113451 0.84 L3MBTL1 (0.53) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL28184258 0.83 TDP1 (0.61) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL6963636 0.83 TDP1 (0.59) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL29096144 0.82 HDAC3 (0.51) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL24305963 0.82 NOS1 (0.50) TDP1IDO1NOS1PAMHDAC3
SCHEMBL7007017 0.81 TDP1 (0.58) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL3048336 0.81 TDP1 (0.79) TDP1L3MBTL1IDO1NOS3NOS1
SCHEMBL28145754 0.81 CETP (0.51) TDP1CYP2C19ALDH1A1
SCHEMBL20389068 0.80 IDO1 (0.53) TDP1L3MBTL1IDO1CYP2C19GAA
SCHEMBL10408777 0.80 ALDH1A1 (0.48) TDP1L3MBTL1CYP2C19ALDH1A1KMT2A

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-2978317-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS Syngenta Participations AG (CH) 2016-02-03 EP claimed
WO-2014154486-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO claimed
WO-2020159448-A1 MOLECULAR RENAL PROBES FOR DETECTING ACUTE KIDNEY INJURY NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-08-06 WO disclosed
US-20160050930-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (UK) 2016-02-25 US disclosed
US-20160050929-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (GB) 2016-02-25 US disclosed
EP-2978317-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS Syngenta Participations AG (CH) 2016-02-03 EP disclosed
EP-2978316-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS Syngenta Participations AG (CH) 2016-02-03 EP disclosed
CN-103328561-B Electrically conductive rubber elastomer, charging member, and electrophotographic apparatus CANON KK 2014-12-10 CN disclosed
WO-2014154488-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO disclosed
WO-2014154486-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO disclosed
CN-103328561-A Electrically conductive rubber elastomer, charging member, and electrophotographic apparatus CANON KK 2013-09-25 CN disclosed
EP-2556051-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS Sumitomo Chemical Company, Limited (JP) 2013-02-13 EP disclosed
WO-2011126129-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-13 WO disclosed
CN-1173937-C (3S,4S) and (3R,4R)-beta-methyl-gamma-hydroxy-alkyl nitrile and its preparation and use 中国科学院上海有机化学研究所 2004-11-03 CN disclosed
CN-1146534-C (4S,5S)-and (4R,5R)-gamma-methyl-delta-hydroxyl-alkanoic acid and its alkyl ester, preparation method and application 中国科学院上海有机化学研究所 2004-04-21 CN disclosed
CN-1321632-A (4S,5S)-and (4R,5R)-gamma-methyl-delta-hydroxyl-alkanoic acid and its alkyl ester, preparation method and application SHANGHAI INST ORGANIC CHEM (CN) 2001-11-14 CN disclosed
CN-1308054-A (3S,4S) and (3R,4R)-beta-methyl-gamma-hydroxy-alkyl nitrile and its preparation and use SHANGHAI INST ORGANIC CHEM (CN) 2001-08-15 CN 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 (2 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-20160050929-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS DDT, CRY1, NISCH TDP1 3177/4885L3MBTL1 347/4885IDO1 2448/4885
US-20160050930-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS DDT, CRY1, NISCH TDP1 3228/4885L3MBTL1 330/4885IDO1 2005/4885

“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.