SCHEMBL5465770

SCHEMBL5465770

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 3/20 0.45
FOLH1 Q04609 1/20 0.45
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.41
PTGS2 P35354 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ACE P12821 6/20 0.39
MME P08473 6/20 0.39
CPA1 P15085 5/20 0.39
ACE2 Q9BYF1 5/20 0.39
PKM P14618 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 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
SCHEMBL5469629 0.91 ALDH1A1 (0.41) RNPEPTDP1MAPTPTGS2ALDH1A1
SCHEMBL5478001 0.84 RNPEP (0.42) RNPEPFOLH1TDP1MAPTPTGS2
SCHEMBL5469957 0.83 RNPEP (0.50) RNPEPFOLH1TDP1MAPTPTGS2
SCHEMBL7659129 0.81 ALDH1A1 (0.38) TDP1MAPTPTGS2ALDH1A1LMNA
SCHEMBL5463058 0.79 RNPEP (0.41) RNPEPFOLH1TDP1MAPTPTGS2
SCHEMBL5456370 0.78 RNPEP (0.48) RNPEPFOLH1TDP1MAPTPTGS2
SCHEMBL27391827 0.78
SCHEMBL5469825 0.78 ALDH1A1 (0.41) RNPEPTDP1MAPTPTGS2ALDH1A1
SCHEMBL5469924 0.78 ALDH1A1 (0.48) RNPEPFOLH1TDP1MAPTPTGS2
SCHEMBL3796923 0.76 FOLH1 (0.68) RNPEPFOLH1TDP1MAPTPTGS2

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 4 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
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

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 RNPEP 3213/4885FOLH1 2078/4885TDP1 2922/4885
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 RNPEP 3213/4885FOLH1 2078/4885TDP1 2922/4885

“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.