SCHEMBL1970419

SCHEMBL1970419

COC(=O)C(C)C(C)SCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.50
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
THRB P10828 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL1855181 0.77 ATM (0.48) PPARGPPARAL3MBTL1LMNAMAPT
SCHEMBL9785027 0.76 L3MBTL1 (0.49) PPARGPPARAL3MBTL1LMNAMAPT
SCHEMBL27351891 0.75 L3MBTL1 (0.45) PPARGPPARAL3MBTL1LMNAMAPT
SCHEMBL18165398 0.75 EPHX1 (0.60) L3MBTL1ALDH1A1ATMSMN1; SMN2KMT2A
SCHEMBL28153048 0.73 POLB (0.51) PPARGPPARAL3MBTL1LMNAMAPT
SCHEMBL1855253 0.73 L3MBTL1 (0.43) L3MBTL1LMNAMAPTCYP2C9CYP2C19
SCHEMBL13898993 0.72 CYP2C9 (0.51) L3MBTL1LMNAMAPTPOLBALDH1A1
SCHEMBL21581228 0.72 MMP9 (0.49) L3MBTL1MAPTALDH1A1CYP2C9CYP1A2
SCHEMBL27668010 0.72 ANPEP (0.58) ALDH1A1CYP2C9ATMTHRBCYP2C19
SCHEMBL11770013 0.72 POLB (0.64) L3MBTL1LMNAMAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334201-B1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO PERFUMERY CO LTD (JP) 2016-07-27 EP disclosed
US-8445051-B2 Thiol-containing fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-21 US disclosed
US-20110256071-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-10-20 US disclosed
EP-2334201-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS Takasago International Corporation (JP) 2011-06-22 EP disclosed
WO-2010042938-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-04-15 WO disclosed
US-6805893-B2 3-MERCAPTO-2-METHYL-BUTAN-1-OL STEREOISOMERS OR ENANTIOMORPHS ARE USED TO FLAVOR FOODS AND/OR BEVERAGES GIVAUDAN SA (CH) 2004-10-19 US disclosed
US-20040047960-A1 Mercapto-alkanol flavor compounds GIVAUDAN SA 2004-03-11 US disclosed
EP-1055667-B1 Mercapto alcohols as flavouring compounds GIVAUDAN SA (CH) 2003-11-12 EP disclosed
US-6610346-B1 3- mercapto-2-methyl-butan-1-ol and/or 3-mercapto-3-methyl-hexan-1- ol, and the stereoisomers of each, are used to flavor products, such as foods and/or beverages. Methods for the preparation of both GIVAUDAN SCHWEIZ AG (CH) 2003-08-26 US disclosed
CN-1277189-A Flavour compounds GIEWANAUDAN RUHR INTERNATIONAL (CH) 2000-12-20 CN disclosed
EP-1055667-A2 Mercapto alcohols as flavouring compounds Givaudan SA (CH) 2000-11-29 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-20110256071-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAS1R1, TAS2R1, TAS2R5 PPARG 2744/4885PPARA 1970/4885L3MBTL1 1150/4885

“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.