SCHEMBL42484

SCHEMBL42484

CC(=O)SCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.54
NOS3 P29474 1/20 0.54
NOS1 P29475 1/20 0.54
NOS2 P35228 1/20 0.54
TDP1 Q9NUW8 2/20 0.52
GAA P10253 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MME P08473 1/20 0.49
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL11673834 0.84 CYP2C19 (0.52) IDO1NOS3NOS1NOS2TDP1
SCHEMBL7277542 0.83 IDO1 (0.50) IDO1NOS3NOS1NOS2TDP1
SCHEMBL14855645 0.83 IDO1 (0.50) IDO1NOS3NOS1NOS2TDP1
SCHEMBL3070200 0.81 IDO1 (0.71) IDO1NOS3NOS1NOS2TDP1
SCHEMBL79058 0.81 IDO1 (0.58) IDO1NOS3NOS1NOS2TDP1
SCHEMBL560906 0.81 IDO1 (0.58) IDO1NOS3NOS1NOS2TDP1
SCHEMBL8552349 0.81 ALDH1A1 (0.55) TDP1GAACA12CA1CA2
SCHEMBL6882189 0.80 ALDH1A1 (0.57) IDO1NOS1TDP1TAAR1MME
SCHEMBL6517369 0.80 IDO1 (0.59) IDO1NOS1TAAR1ALDH1A1HDAC3
SCHEMBL10126371 0.80 IDO1 (0.51) IDO1NOS1TDP1TAAR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113795499-B Process for producing alkoxysilyl group-containing thiocarboxylate 迈图高新材料公司 2024-03-19 CN claimed
CN-113795499-A Process for producing alkoxysilyl group-containing thiocarboxylic ester 迈图高新材料公司 2021-12-14 CN claimed
CN-108425104-A A kind of coating production using sulfhydryl compound as transition zone 江苏菲沃泰纳米科技有限公司 2018-08-21 CN claimed
CN-108060184-A A kind of method of lipase-catalyzed online synthesis S- thioacetic acid benzyl esters 浙江工业大学 2018-05-22 CN claimed
CN-108060183-A A kind of lipase-catalyzed online synthesis 6-(Benzylthio)The method of -6- oxo vinyl caproates 浙江工业大学 2018-05-22 CN claimed
CN-1112125-A Acyloxyhexanoic acid derivatives CIBA GEIGY AG (CH) 1995-11-22 CN claimed
CN-118638142-A Method for preparing acyl silane by using alkene under induction of visible light 南京理工大学 2024-09-13 CN disclosed
CN-113795499-B Process for producing alkoxysilyl group-containing thiocarboxylate 迈图高新材料公司 2024-03-19 CN disclosed
US-20240018182-A1 GLUCOCORTICOID RECEPTOR AGONISTS ELI LILLY AND COMPANY 2024-01-18 US disclosed
US-20240018182-A1 GLUCOCORTICOID RECEPTOR AGONISTS ELI LILLY AND COMPANY 2024-01-18 US disclosed
US-11787834-B2 Glucocorticoid receptor agonists ELI LILLY AND COMPANY (US) 2023-10-17 US disclosed
CN-111848321-B Chiral aminated sulfoxide and preparation method thereof 南方科技大学 2023-01-03 CN disclosed
CN-112592305-B Organic compound and preparation method and application thereof 中南大学 2022-10-18 CN disclosed
CN-1228787-A Polymerization with living characteristics DU PONT (US) 1999-09-15 CN disclosed
CN-1112125-A Acyloxyhexanoic acid derivatives CIBA GEIGY AG (CH) 1995-11-22 CN disclosed
EP-0159254-A1 Derivatives of omega-mercaptopropanamide and their salts, their preparation, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1985-10-23 EP disclosed
EP-0115997-A2 Derivatives of omega mercaptopropanamides, and their homologues, process for their preparation, their use as medicines, compositions containing them and intermediates obtained ROUSSEL-UCLAF (FR) 1984-08-15 EP disclosed
US-4292195-A REACTION PRODUCT OF AROMATIC AMINES AND POLYEPOXIDES; RUBBERS, PLASTICS, OILS, AND GREASES THE B. F. GOODRICH COMPANY (US) 1981-09-29 US disclosed
US-4110534-A PROCESS FOR THE PREPARATION OF 3-VINYL AND SUBSTITUTED VINYL CEPHALOSPORINS GLAXO LABORATORIES LIMITED (GB) 1978-08-29 US disclosed
US-4107431-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (GB) 1978-08-15 US 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-20240018182-A1 GLUCOCORTICOID RECEPTOR AGONISTS NR3C1, NR3C2, MC2R IDO1 1734/4885NOS3 753/4885NOS1 1998/4885
US-11787834-B2 Glucocorticoid receptor agonists NR3C1, NR3C2, MC2R IDO1 1734/4885NOS3 753/4885NOS1 1998/4885

“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.