SCHEMBL4995068

SCHEMBL4995068

CNC(=O)C(CS)C(=O)NCCCNC(=O)C(CS)C(=O)NC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A2 O94788 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH1A3 P47895 1/20 0.38
MMP8 P22894 2/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
DPP7 Q9UHL4 2/20 0.34
PTGS1 P23219 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
BMP1 P13497 1/20 0.32
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4990753 0.92 USP2 (0.41) ALDH1A2ALDH1A1ALDH2ALDH1A3MMP8
SCHEMBL4990061 0.84 FNTA (0.40) ALDH1A2ALDH1A1ALDH2ALDH1A3MMP8
SCHEMBL4988065 0.81 FNTA (0.43) ALDH1A2ALDH1A1ALDH2ALDH1A3MMP8
SCHEMBL4983533 0.78 ALDH1A2 (0.36) ALDH1A2ALDH1A1ALDH2ALDH1A3MMP8
SCHEMBL4991495 0.78 MMP1 (0.35) BMP1MMP1MMP3MMP9
SCHEMBL4986427 0.78 ALDH1A1 (0.39) ALDH1A2ALDH1A1ALDH2ALDH1A3MMP8
SCHEMBL4989991 0.77 USP2 (0.36) ALDH1A2ALDH1A1ALDH2ALDH1A3MMP8
SCHEMBL4989705 0.76 TSHR (0.41) ALDH1A2ALDH1A1ALDH2ALDH1A3MMP8
SCHEMBL4983581 0.75 USP2 (0.46) ALDH1A2ALDH1A1ALDH2ALDH1A3MMP8
SCHEMBL4986150 0.72 USP2 (0.41) ALDH1A2ALDH1A1ALDH2ALDH1A3MMP8

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 ALDH1A2 795/4885ALDH1A1 637/4885ALDH2 251/4885

“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.