SCHEMBL2081001

SCHEMBL2081001

CCC1COC(=O)C(S)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CYP2C9 P11712 2/20 0.33
CHRM3 P20309 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CHRM2 P08172 1/20 0.33
CYP2A6 P11509 1/20 0.33
CNR1 P21554 1/20 0.33
HTR2A P28223 1/20 0.33
CYP2A13 Q16696 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 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
SCHEMBL2077558 0.72
SCHEMBL2081042 0.72
SCHEMBL2078747 0.72
SCHEMBL12086408 0.69 CYP1A2 (0.42) CHRM4CHRM5CHRM1CHRM3CYP1A2
SCHEMBL13954390 0.69 POLB (0.33) CHRM4CHRM5CHRM1CYP2C9CHRM3
SCHEMBL11099301 0.69
SCHEMBL1092390 0.67
SCHEMBL2079084 0.67
SCHEMBL5573177 0.67
SCHEMBL13932363 0.67 CHRM5 (0.36) CHRM4CHRM5CHRM1CHRM3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296918-A1 METHOD FOR PRODUCING MERCAPTO HETEROCYCLIC COMPOUND AND METHOD FOR TESTING THE SAME RESONAC CORPORATION (JP) 2025-09-25 US disclosed
WO-2023210608-A1 PRODUCTION METHOD AND TEST METHOD FOR MERCAPTO HETEROCYCLIC COMPOUND 株式会社レゾナック 2023-11-02 WO disclosed
WO-2015198923-A1 COMPOSITION FOR KERATIN FIBERS L'OREAL (FR) 2015-12-30 WO disclosed
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
EP-2024330-B1 PRODUCTION METHOD OF HETEROCYCLIC MERCAPTO COMPOUND SHOWA DENKO KK (JP) 2012-04-25 EP disclosed
US-7902383-B2 Production method of heterocyclic mercapto compound SHOWA DENKO K.K. (JP) 2011-03-08 US disclosed
EP-1896139-B1 PERMANENT WAVING AND SIMULTANEOUSLY COLORING AGENT SHOWA DENKO KK (JP) 2010-03-31 EP disclosed
US-20090171095-A1 PRODUCTION METHOD OF HETEROCYCLIC MERCAPTO COMPOUND SHOWA DENKO K.K. (JP) 2009-07-02 US disclosed
US-20090081147-A1 PERMANENT WAVING AGENT SHOWA DENKO K.K. (JP) 2009-03-26 US disclosed
EP-2024330-A1 PRODUCTION METHOD OF HETEROCYCLIC MERCAPTO COMPOUND Showa Denko K.K. (JP) 2009-02-18 EP disclosed
US-20080131389-A1 Hair Relaxer SHOWA DENKO K.K. (JP) 2008-06-05 US disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 US disclosed
EP-1896139-A2 PERMANENT WAVING AND SIMULTANEOUSLY COLORING AGENT Showa Denko K.K. (JP) 2008-03-12 EP disclosed
WO-2007139215-A1 PRODUCTION METHOD OF HETEROCYCLIC MERCAPTO COMPOUND SHOWA DENKO K.K. (JP) 2007-12-06 WO disclosed
EP-1845940-A1 HAIR RELAXER Showa Denko K.K. (JP) 2007-10-24 EP disclosed
EP-1827370-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR Showa Denko K.K. (JP) 2007-09-05 EP disclosed
WO-2006121214-A2 PERMANENT WAVING AND SIMULTANEOUSLY COLORING AGENT SHOWA DENKO K.K. (JP) 2006-11-16 WO disclosed
WO-2006083031-A1 HAIR RELAXER SHOWA DENKO K.K. (JP) 2006-08-10 WO disclosed
WO-2006068276-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR SHOWA DENKO K.K. (JP) 2006-06-29 WO 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-20080131389-A1 Hair Relaxer BHMT2, BHMT, MGMT CHRM4 249/4885CHRM5 813/4885CHRM1 968/4885
US-20250296918-A1 METHOD FOR PRODUCING MERCAPTO HETEROCYCLIC COMPOUND AND METHOD FOR TESTING THE SAME MPST, TST, DHPS CHRM4 1389/4885CHRM5 1119/4885CHRM1 2171/4885
US-20090081147-A1 PERMANENT WAVING AGENT SULT2A1, SULT1A1, CYP2F1 CHRM4 1810/4885CHRM5 1903/4885CHRM1 905/4885
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; TST, CYSLTR1, CYSLTR2 CHRM4 674/4885CHRM5 597/4885CHRM1 204/4885
US-20090171095-A1 PRODUCTION METHOD OF HETEROCYCLIC MERCAPTO COMPOUND POR, SULT2A1, CYP2E1 CHRM4 129/4885CHRM5 90/4885CHRM1 48/4885

“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.