SCHEMBL4990061

SCHEMBL4990061

CCNC(=O)C(CS)C(=O)NCCCNC(=O)C(CS)C(=O)NCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
MMP8 P22894 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
DPP7 Q9UHL4 2/20 0.38
ALDH1A2 O94788 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH1A3 P47895 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RRM1 P23921 1/20 0.35
CAPN1 P07384 1/20 0.34
EPHX1 P07099 2/20 0.33
PTGS1 P23219 1/20 0.33
KCNH2 Q12809 1/20 0.33
PGGT1B P53609 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 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
SCHEMBL4983581 0.92 USP2 (0.46) FNTAFNTBMMP8USP2TSHR
SCHEMBL4995068 0.84 ALDH1A2 (0.38) FNTAFNTBMMP8USP2TSHR
SCHEMBL4988065 0.81 FNTA (0.43) FNTAFNTBMMP8ALDH1A2ALDH1A1
SCHEMBL4989705 0.79 TSHR (0.41) FNTAFNTBMMP8USP2TSHR
SCHEMBL4993156 0.78 ACE (0.32)
SCHEMBL4983533 0.78 ALDH1A2 (0.36) FNTAFNTBMMP8USP2TSHR
SCHEMBL4986427 0.78 ALDH1A1 (0.39) FNTAFNTBMMP8USP2TSHR
SCHEMBL4989991 0.77 USP2 (0.36) FNTAFNTBMMP8USP2TSHR
SCHEMBL4990753 0.75 USP2 (0.41) FNTAFNTBMMP8USP2TSHR
SCHEMBL4986150 0.72 USP2 (0.41) FNTAFNTBMMP8USP2TSHR

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-20080138309-A1 Use Of Aminodithiol As A Reducing Agent For Hair Perming L'OREAL S.A. (FR) 2008-06-12 US claimed
EP-1844007-A1 USE OF AMINODITHIOL AS A REDUCING AGENT FOR HAIR PERMING L'Oréal (FR) 2007-10-17 EP claimed
WO-2006077170-A1 USE OF AMINODITHIOL AS A REDUCING AGENT FOR HAIR PERMING L'OREAL (FR) 2006-07-27 WO claimed
US-20080138309-A1 Use Of Aminodithiol As A Reducing Agent For Hair Perming L'OREAL S.A. (FR) 2008-06-12 US disclosed
EP-1844007-A1 USE OF AMINODITHIOL AS A REDUCING AGENT FOR HAIR PERMING L'Oréal (FR) 2007-10-17 EP disclosed
WO-2006077170-A1 USE OF AMINODITHIOL AS A REDUCING AGENT FOR HAIR PERMING L'OREAL (FR) 2006-07-27 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-20080138309-A1 Use Of Aminodithiol As A Reducing Agent For Hair Perming AASDHPPT, BHMT2, ALAD FNTA 1739/4885FNTB 2680/4885MMP8 2675/4885

“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.