SCHEMBL5463831

SCHEMBL5463831

CNC(=O)C(S)CC(S)C(=O)NC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RNPEP Q9H4A4 2/20 0.39
▸ MMP9 P14780 7/20 0.33
▸ MMP1 P03956 6/20 0.33
▸ MMP3 P08254 5/20 0.33
▸ ACE P12821 3/20 0.33
▸ MME P08473 2/20 0.33
▸ CPA1 P15085 2/20 0.33
▸ ACE2 Q9BYF1 2/20 0.33
▸ MMP2 P08253 3/20 0.32
▸ MMP8 P22894 3/20 0.32
▸ BMP1 P13497 1/20 0.31
▸ MMP13 P45452 1/20 0.30

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
SCHEMBL5465868 0.91 RNPEP (0.54) MAPTALDH1A1LMNAPTGS2TDP1
SCHEMBL22981486 0.87 RNPEP (0.56) MAPTALDH1A1LMNAPTGS2TDP1
SCHEMBL5471418 0.83 MAPT (0.39) MAPTALDH1A1LMNAPTGS2TDP1
SCHEMBL29060619 0.81 — —
SCHEMBL5470099 0.79 RNPEP (0.37) MAPTALDH1A1LMNAPTGS2TDP1
SCHEMBL5464339 0.77 LMNA (0.35) MAPTALDH1A1LMNAPTGS2TDP1
SCHEMBL24761154 0.77 ALDH1A1 (0.40) MAPTALDH1A1LMNAPTGS2TDP1
SCHEMBL18818920 0.77 TDP1 (0.45) MAPTALDH1A1LMNAPTGS2TDP1
SCHEMBL5456370 0.75 RNPEP (0.48) MAPTALDH1A1LMNAPTGS2TDP1
SCHEMBL5469825 0.74 ALDH1A1 (0.41) MAPTALDH1A1LMNAPTGS2TDP1

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 MAPT 3323/4885ALDH1A1 792/4885LMNA 2678/4885
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 MAPT 3323/4885ALDH1A1 792/4885LMNA 2678/4885

“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.

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