SCHEMBL2079210

SCHEMBL2079210

CC1CCCC(S)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2080517 0.86
SCHEMBL83353 0.77 TSHR (0.42) CYP2C9TSHRCYP2C19TDP1
SCHEMBL83355 0.77 TSHR (0.42) CYP2C9TSHRCYP2C19TDP1
SCHEMBL83973 0.77 TSHR (0.42) CYP2C9TSHRCYP2C19TDP1
SCHEMBL83972 0.77 TSHR (0.42) CYP2C9TSHRCYP2C19TDP1
SCHEMBL83354 0.77 TSHR (0.42) CYP2C9TSHRCYP2C19TDP1
SCHEMBL2080272 0.75
SCHEMBL14170524 0.71 CYP2C9 (0.36) CYP2C9TSHRCYP2C19TDP1
SCHEMBL10915494 0.70 CYP2C9 (0.33) CYP2C9TSHRCYP2C19TDP1
SCHEMBL19730072 0.68 PDE9A (0.32)

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
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
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-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 CYP2C9 963/4885TSHR 1342/4885CYP2C19 1355/4885
US-20250296918-A1 METHOD FOR PRODUCING MERCAPTO HETEROCYCLIC COMPOUND AND METHOD FOR TESTING THE SAME MPST, TST, DHPS CYP2C9 90/4885TSHR 3215/4885CYP2C19 228/4885
US-20090081147-A1 PERMANENT WAVING AGENT SULT2A1, SULT1A1, CYP2F1 CYP2C9 273/4885TSHR 743/4885CYP2C19 447/4885
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 CYP2C9 252/4885TSHR 1995/4885CYP2C19 412/4885
US-20090171095-A1 PRODUCTION METHOD OF HETEROCYCLIC MERCAPTO COMPOUND POR, SULT2A1, CYP2E1 CYP2C9 108/4885TSHR 617/4885CYP2C19 242/4885

“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.