SCHEMBL2080428

SCHEMBL2080428

CC1CCCC(S)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
MMP3 P08254 1/20 0.31
LMNA P02545 2/20 0.31
ESR2 Q92731 2/20 0.31
NR1I2 O75469 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL2080980 0.86
SCHEMBL2724285 0.77 CA1 (0.44) CA1CA9MEN1KMT2ASMN1; SMN2
SCHEMBL1092476 0.75
SCHEMBL20582783 0.71 CA1 (0.39) CA1CA9MEN1KMT2ASMN1; SMN2
Cyclopropane SCHEMBL3663848 0.68 CA1 (0.42) CA1CA9MEN1KMT2ASMN1; SMN2
SCHEMBL576472 0.67
SCHEMBL7592991 0.67
SCHEMBL2081244 0.67
SCHEMBL19084193 0.65 CA1 (0.38) CA1CA9MEN1KMT2ASMN1; SMN2
SCHEMBL31498501 0.65 CA1 (0.38) CA1CA9MEN1KMT2ASMN1; SMN2

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 CA1 852/4885CA9 1082/4885MEN1 1254/4885
US-20250296918-A1 METHOD FOR PRODUCING MERCAPTO HETEROCYCLIC COMPOUND AND METHOD FOR TESTING THE SAME MPST, TST, DHPS CA1 810/4885CA9 461/4885MEN1 575/4885
US-20090081147-A1 PERMANENT WAVING AGENT SULT2A1, SULT1A1, CYP2F1 CA1 694/4885CA9 2015/4885MEN1 3753/4885
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 CA1 326/4885CA9 1716/4885MEN1 4606/4885
US-20090171095-A1 PRODUCTION METHOD OF HETEROCYCLIC MERCAPTO COMPOUND POR, SULT2A1, CYP2E1 CA1 786/4885CA9 3224/4885MEN1 2841/4885

“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.