SCHEMBL5475668

SCHEMBL5475668

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNPEP Q9H4A4 3/20 0.39
▸ FOLH1 Q04609 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ DNM1 Q05193 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GPR88 Q9GZN0 1/20 0.33
▸ HTT P42858 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
SCHEMBL5475724 0.90 DNM1 (0.41) RNPEPFOLH1ALDH1A1KDM4EDNM1
SCHEMBL5471493 0.86 RNPEP (0.42) RNPEPALDH1A1KDM4EPKMDNM1
SCHEMBL5478001 0.80 RNPEP (0.42) RNPEPFOLH1ALDH1A1LMNAMAPT
SCHEMBL5469494 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EPKMDNM1MEN1
SCHEMBL5469924 0.78 ALDH1A1 (0.48) RNPEPFOLH1ALDH1A1KDM4EMEN1
SCHEMBL5470111 0.77 DNM1 (0.41) RNPEPALDH1A1KDM4EDNM1MEN1
SCHEMBL26297238 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EPKMDNM1MEN1
SCHEMBL5465770 0.76 RNPEP (0.45) RNPEPFOLH1ALDH1A1KDM4EPKM
SCHEMBL5471966 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EPKMDNM1MEN1
SCHEMBL2867867 0.73 ALDH1A1 (0.42) ALDH1A1KDM4EPKMDNM1MEN1

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 2078/4885ALDH1A1 792/4885
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 RNPEP 3213/4885FOLH1 2078/4885ALDH1A1 792/4885

“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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