SCHEMBL20544696

SCHEMBL20544696

COS(=O)(=O)[O-].C[n+]1cccc(F)c1

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 3/20 0.36
USP2 O75604 1/20 0.41
HDAC8 Q9BY41 6/20 0.38
NNMT P40261 1/20 0.37
LMNA P02545 3/20 0.36
BCHE P06276 3/20 0.36
GLA P06280 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TERT O14746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
RAD52 P43351 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PSMD14 O00487 1/20 0.32
HTR1A P08908 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL10256983 0.82
SCHEMBL11689059 0.80 USP2 (0.42) USP2HDAC8NNMTLMNABCHE
SCHEMBL11692088 0.79 HDAC8 (0.68) USP2HDAC8NNMTLMNABCHE
SCHEMBL20544622 0.76 LMNA (0.41) USP2HDAC8NNMTLMNABCHE
SCHEMBL20544692 0.76 LMNA (0.44) USP2HDAC8NNMTLMNABCHE
SCHEMBL2779790 0.76 HDAC8 (0.49) USP2HDAC8NNMTLMNABCHE
SCHEMBL5485440 0.75 HDAC8 (0.71) USP2HDAC8NNMTLMNABCHE
Trigonelline SCHEMBL11786615 0.75 USP2 (0.57) USP2HDAC8NNMTLMNABCHE
SCHEMBL28349758 0.74 RAD52 (0.37) USP2LMNANPSR1RAD52KDM4E
SCHEMBL398916 0.74 RAD52 (0.37) USP2LMNANPSR1RAD52KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12398104-B2 Odorless thiols for permanent waving, straightening and depilatory applications THE PROCTER & GAMBLE COMPANY (US) 2025-08-26 US disclosed
CN-110573137-B Odorless thiols for permanent wave, straightening and dehairing applications 宝洁公司 2023-08-18 CN disclosed
EP-3614999-B1 ODORLESS THIOLS FOR PERMANENT WAVING, STRAIGHTENING AND DEPILATORY APPLICATIONS PROCTER & GAMBLE (US) 2022-07-13 EP disclosed
EP-3614999-A1 ODORLESS THIOLS FOR PERMANENT WAVING, STRAIGHTENING AND DEPILATORY APPLICATIONS The Procter and Gamble Company (US) 2020-03-04 EP disclosed
CN-110573137-A Odorless thiols for long lasting wave, straightening and depilatory applications 宝洁公司 2019-12-13 CN disclosed
US-20180311134-A1 ODORLESS THIOLS FOR PERMANENT WAVING, STRAIGHTENING AND DEPILATORY APPLICATIONS THE PROCTER & GAMBLE COMPANY 2018-11-01 US disclosed
US-20180312468-A1 ODORLESS THIOLS FOR PERMANENT WAVING, STRAIGHTENING AND DEPILATORY APPLICATIONS THE PROCTER & GAMBLE COMPANY 2018-11-01 US disclosed
WO-2018200772-A1 ODORLESS THIOLS FOR PERMANENT WAVING, STRAIGHTENING AND DEPILATORY APPLICATIONS THE PROCTER & GAMBLE COMPANY (US) 2018-11-01 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 (3 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-20180312468-A1 ODORLESS THIOLS FOR PERMANENT WAVING, STRAIGHTENING AND DEPILATORY APPLICATIONS TST, TMT1A, PTMS ACHE 594/4885USP2 450/4885HDAC8 680/4885
US-12398104-B2 Odorless thiols for permanent waving, straightening and depilatory applications TST, TMT1A, PTMS ACHE 594/4885USP2 450/4885HDAC8 680/4885
US-20180311134-A1 ODORLESS THIOLS FOR PERMANENT WAVING, STRAIGHTENING AND DEPILATORY APPLICATIONS PLPBP, DAO, TST ACHE 2760/4885USP2 1266/4885HDAC8 3201/4885

“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.