SCHEMBL4990338

SCHEMBL4990338

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
MMP8 P22894 3/20 0.38
CPB2 Q96IY4 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 1/20 0.32
SOAT1 P35610 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
SCHEMBL4989705 0.93 TSHR (0.41) TSHRUSP2MMP8CPB2MGAM
SCHEMBL4987650 0.84 TSHR (0.40) TSHRUSP2MMP8ALDH1A1HSD17B10
SCHEMBL4986394 0.84 MMP8 (0.36) MMP8CPB2MGAMGAASI
SCHEMBL7755034 0.81 ALDH1A1 (0.46) MMP8CPB2MGAMGAASI
SCHEMBL4983581 0.78 USP2 (0.46) TSHRUSP2MMP8ALDH1A1MEN1
SCHEMBL4983533 0.77 ALDH1A2 (0.36) TSHRUSP2MMP8ALDH1A1HSD17B10
SCHEMBL4986150 0.74 USP2 (0.41) TSHRUSP2MMP8ALDH1A1MEN1
SCHEMBL4990753 0.74 USP2 (0.41) TSHRUSP2MMP8ALDH1A1MEN1
SCHEMBL21046014 0.72 CPB2 (0.40) MMP8CPB2MGAMGAASI
SCHEMBL27697027 0.72 CPB2 (0.40) TSHRMMP8CPB2MGAMGAA

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 3476/4885USP2 2774/4885MMP8 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.