SCHEMBL4989705

SCHEMBL4989705

CCOC(=O)C(CS)C(=O)NCCCNC(=O)C(CS)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CPB2 Q96IY4 1/20 0.39
MMP8 P22894 3/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
USP2 O75604 1/20 0.35
ACHE P22303 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ALDH1A2 O94788 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALDH2 P05091 1/20 0.34
ALDH1A3 P47895 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL4990338 0.93 TSHR (0.42) TSHRCPB2MMP8FNTAFNTB
SCHEMBL4983533 0.85 ALDH1A2 (0.36) TSHRMMP8FNTAFNTBUSP2
SCHEMBL4986394 0.81 MMP8 (0.36) CPB2MMP8MGAMGAASI
SCHEMBL4990061 0.79 FNTA (0.40) TSHRMMP8FNTAFNTBUSP2
SCHEMBL7755034 0.78 ALDH1A1 (0.46) CPB2MMP8MGAMGAASI
SCHEMBL4987650 0.77 TSHR (0.40) TSHRMMP8FNTAFNTBUSP2
SCHEMBL4988065 0.77 FNTA (0.43) MMP8FNTAFNTBCYP2D6CYP2C19
SCHEMBL4995068 0.76 ALDH1A2 (0.38) TSHRMMP8FNTAFNTBCYP2D6
SCHEMBL4986427 0.73 ALDH1A1 (0.39) TSHRMMP8FNTAFNTBUSP2
SCHEMBL4989991 0.73 USP2 (0.36) TSHRMMP8FNTAFNTBUSP2

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 TSHR 3476/4885CPB2 1628/4885MMP8 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.