SCHEMBL5464503

SCHEMBL5464503

CC(O)CNC(=O)C(S)CCCC(S)C(=O)NCC(C)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MME P08473 2/20 0.34
▸ ACE P12821 2/20 0.34
▸ CPA1 P15085 2/20 0.34
▸ ACE2 Q9BYF1 2/20 0.34
▸ ANPEP P15144 1/20 0.33
▸ DNPEP Q9ULA0 1/20 0.33
▸ RNPEP Q9H4A4 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL5472006 0.92 ALDH1A1 (0.42) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL5463058 0.85 RNPEP (0.41) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL5467664 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL5464540 0.79 ACE (0.42) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL5090467 0.79 ALDH1A1 (0.56) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL5464493 0.78 ALDH1A1 (0.38) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL5461598 0.77 RNPEP (0.50) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL2874363 0.75 ALDH1A1 (0.38) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL24378364 0.73 MAPK1 (0.47) ALDH1A1LMNAMAPT
SCHEMBL5458732 0.73 ALDH1A1 (0.36) ALDH1A1LMNAMAPTPTGS2TDP1

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.

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