SCHEMBL5475724

SCHEMBL5475724

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ RNPEP Q9H4A4 2/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ PAOX Q6QHF9 1/20 0.36
▸ CXCL8 P10145 1/20 0.36
▸ ALDH1A2 O94788 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALDH2 P05091 1/20 0.35
▸ ALDH1A3 P47895 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL5475668 0.90 RNPEP (0.39) DNM1KDM4ERNPEPFOLH1ALDH1A1
SCHEMBL5470111 0.87 DNM1 (0.41) DNM1HPGDKDM4ERNPEPALOX15
SCHEMBL5463763 0.80 DNM1 (0.42) DNM1HPGDKDM4EALOX15PAOX
SCHEMBL5469924 0.79 ALDH1A1 (0.48) KDM4ERNPEPFOLH1ALDH1A2ALDH1A1
SCHEMBL5478001 0.78 RNPEP (0.42) RNPEPFOLH1ALDH1A1
SCHEMBL5471493 0.77 RNPEP (0.42) DNM1KDM4ERNPEPALDH1A1
SCHEMBL5469548 0.76 DNM1 (0.40) DNM1HPGDKDM4EALOX15PAOX
SCHEMBL23587987 0.75 HPGD (0.45) DNM1HPGDKDM4EALOX15PAOX
SCHEMBL766522 0.75 HPGD (0.45) DNM1HPGDKDM4EALOX15PAOX
SCHEMBL2135206 0.74 HPGD (0.47) DNM1HPGDKDM4EALOX15PAOX

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 DNM1 2274/4885HPGD 487/4885KDM4E 1646/4885
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 DNM1 2274/4885HPGD 487/4885KDM4E 1646/4885

“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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