SCHEMBL5469541

SCHEMBL5469541

O=C(NCCO)C(S)CCCC(S)C(=O)NCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ USP2 O75604 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CNR1 P21554 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALDH1A2 O94788 1/20 0.35
▸ ALDH2 P05091 1/20 0.35
▸ ALDH1A3 P47895 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ RNPEP Q9H4A4 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 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
SCHEMBL5469946 0.91 ALDH1A1 (0.56) ALDH1A1MAPTUSP2MEN1KMT2A
SCHEMBL5469924 0.83 ALDH1A1 (0.48) ALDH1A1MAPTUSP2MEN1KMT2A
SCHEMBL5475631 0.82 ALDH1A1 (0.56) ALDH1A1MAPTUSP2MEN1KMT2A
SCHEMBL5467440 0.77 ALDH1A1 (0.50) ALDH1A1MAPTUSP2MEN1KMT2A
SCHEMBL5463148 0.77 ALDH1A1 (0.61) ALDH1A1MAPTUSP2MEN1KMT2A
SCHEMBL5456291 0.75 ALDH1A1 (0.48) ALDH1A1MAPTUSP2MEN1KMT2A
SCHEMBL30881126 0.73 — —
SCHEMBL5465866 0.71 ALDH1A1 (0.54) ALDH1A1MAPTUSP2MEN1KMT2A
SCHEMBL5464503 0.71 ALDH1A1 (0.39) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL5470099 0.70 RNPEP (0.37) ALDH1A1MAPTLMNAPTGS2TDP1

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 792/4885MAPT 3323/4885USP2 2478/4885
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 ALDH1A1 792/4885MAPT 3323/4885USP2 2478/4885

“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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