SCHEMBL7122582

SCHEMBL7122582

CCSN(SCC)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
FFAR3 O14843 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CES1 P23141 2/20 0.32
CES2 O00748 1/20 0.32
CA1 P00915 2/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4631571 0.79 ALDH1A1 (0.35) ALDH1A1FFAR3TDP1TSHRMAPK1
Zinc Ion SCHEMBL15136365 0.78 FFAR3 (0.32) ALDH1A1FFAR3TSHRMAPK1
SCHEMBL14605066 0.78 FFAR3 (0.36) ALDH1A1FFAR3TSHRMAPK1CA1
SCHEMBL4184059 0.74 TSHR (0.36) ALDH1A1TSHRMAPK1
SCHEMBL4557462 0.74 TSHR (0.32) ALDH1A1TDP1TSHRMAPK1
SCHEMBL11301434 0.74 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
Carbamic Acid SCHEMBL1300288 0.72
SCHEMBL3257895 0.72 FFAR3 (0.32) ALDH1A1FFAR3TSHRMAPK1
SCHEMBL7282131 0.70 TSHR (0.33) TSHRMAPK1
SCHEMBL11301441 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399051-B2 KERATIN REDUCING AGENT WELLA AKTIENGESELLSCHAFT (DE) 2002-06-04 US claimed
EP-0969792-B1 METHOD AND AGENTS FOR PERMANENTLY STYLING HAIR, WITH A BASE CONSISTING OF N,N-DISUBSTITUTED MERCAPTOACETAMIDES, AND METHOD FOR PRODUCING SAID MERCAPTOACETAMIDES WELLA AG (DE) 2003-11-12 EP disclosed
US-6399051-B2 KERATIN REDUCING AGENT WELLA AKTIENGESELLSCHAFT (DE) 2002-06-04 US disclosed
US-20010056208-A1 METHOD AND AGENTS FOR PERMANENTLY STYLING HAIR, WITH A BASE CONSISTING OF N,N-DISUBSTITUTED MERCAPTOACETAMIDES, AND METHOD FOR PRODUCING SAID MERCAPTOACETAMIDES HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2001-12-27 US disclosed
EP-0969792-A2 METHOD AND AGENTS FOR PERMANENTLY STYLING HAIR, WITH A BASE CONSISTING OF N,N-DISUBSTITUTED MERCAPTOACETAMIDES, AND METHOD FOR PRODUCING SAID MERCAPTOACETAMIDES Wella Aktiengesellschaft (DE) 2000-01-12 EP disclosed
WO-1999007330-A2 METHOD AND AGENTS FOR PERMANENTLY STYLING HAIR, WITH A BASE CONSISTING OF N,N-DISUBSTITUTED MERCAPTOACETAMIDES, AND METHOD FOR PRODUCING SAID MERCAPTOACETAMIDES WELLA AKTIENGESELLSCHAFT (DE) 1999-02-18 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 (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-20010056208-A1 METHOD AND AGENTS FOR PERMANENTLY STYLING HAIR, WITH A BASE CONSISTING OF N,N-DISUBSTITUTED MERCAPTOACETAMIDES, AND METHOD FOR PRODUCING SAID MERCAPTOACETAMIDES KRT18, BHMT2, NACA ALDH1A1 356/4885FFAR3 1368/4885TDP1 3930/4885

“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.