SCHEMBL5469629

SCHEMBL5469629

CCNC(=O)C(S)CCC(S)C(=O)NCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PTGS2 P35354 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACE P12821 4/20 0.39
MME P08473 3/20 0.39
CPA1 P15085 3/20 0.39
ACE2 Q9BYF1 3/20 0.39
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 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
SCHEMBL5465770 0.91 RNPEP (0.45) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL7659129 0.89 ALDH1A1 (0.38) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL27391827 0.85
SCHEMBL5469825 0.85 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL8801949 0.81
SCHEMBL5476427 0.79 ALDH1A1 (0.38) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL5461356 0.79 ACE (0.47) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL5469957 0.78 RNPEP (0.50) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL7366106 0.77
SCHEMBL13211823 0.77

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-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol MALLE GERARD 2007-01-11 US claimed
US-20050201964-A1 Composition to permanently reshape the hair containing at least one dicarboxydithiol L'OREAL S.A. (FR) 2005-09-15 US claimed
EP-1570834-A1 Composition for permanently deforming hair containing at least a dicarboxydithiol L'OREAL (FR) 2005-09-07 EP claimed
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol MALLE GERARD 2007-01-11 US disclosed
US-20050201964-A1 Composition to permanently reshape the hair containing at least one dicarboxydithiol L'OREAL S.A. (FR) 2005-09-15 US disclosed
EP-1570834-A1 Composition for permanently deforming hair containing at least a dicarboxydithiol L'OREAL (FR) 2005-09-07 EP 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 (2 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-20050201964-A1 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 ALDH1A1 792/4885LMNA 2678/4885MAPT 3323/4885
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 ALDH1A1 792/4885LMNA 2678/4885MAPT 3323/4885

“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.