SCHEMBL5471966

SCHEMBL5471966

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ DNM1 Q05193 1/20 0.36
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GPR88 Q9GZN0 1/20 0.32
▸ LGALS1 P09382 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL5469548 0.90 DNM1 (0.40) KDM4EDNM1TSHR
SCHEMBL5466128 0.81 USP2 (0.36) ALDH1A1USP2TSHRMEN1KMT2A
SCHEMBL5470263 0.79 ALDH1A1 (0.47) ALDH1A1USP2TSHRMEN1KMT2A
SCHEMBL5470269 0.78 FNTA (0.43) SMN1; SMN2
SCHEMBL5473337 0.78 LAP3 (0.43) ALDH1A1PKMSMN1; SMN2MAPK1
SCHEMBL5469494 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EPKMDNM1CA1
SCHEMBL5466084 0.77 ACE (0.36) ALDH1A1KDM4EPKMUSP2TSHR
SCHEMBL5475668 0.75 RNPEP (0.39) ALDH1A1KDM4EPKMDNM1CA1
SCHEMBL5471493 0.75 RNPEP (0.42) ALDH1A1KDM4EPKMDNM1CA1
SCHEMBL26297238 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EPKMDNM1CA1

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 ALDH1A1 792/4885KDM4E 1646/4885PKM 4546/4885
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 ALDH1A1 792/4885KDM4E 1646/4885PKM 4546/4885

“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.

Send feedback