SCHEMBL2874865

SCHEMBL2874865

CC(S)C(CS)C(=O)NCCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
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
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
ACE P12821 2/20 0.35
MME P08473 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
HTR2C P28335 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 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
SCHEMBL2867867 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EPKMDNM1MEN1
SCHEMBL2876635 0.80 KDM4E (0.42) ALDH1A1KDM4EPKMDNM1MEN1
SCHEMBL26297238 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EPKMDNM1MEN1
SCHEMBL2875129 0.78 USP2 (0.48) ALDH1A1KDM4EPKMDNM1CA1
SCHEMBL2875724 0.77 USP2 (0.47) ALDH1A1KDM4EPKMDNM1MEN1
SCHEMBL2877517 0.76 CHRNB2 (0.36) ALDH1A1ACEMME
SCHEMBL2624391 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EPKMDNM1MEN1
SCHEMBL2880181 0.74 USP2 (0.59) ALDH1A1KDM4EPKMDNM1CA1
SCHEMBL19407128 0.74 KDM4E (0.40) ALDH1A1KDM4EPKMDNM1MEN1
SCHEMBL2880160 0.74 USP2 (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1570835-B1 Composition for the permanent deformation of the hair comprising at least one carboxydithiol OREAL (FR) 2010-10-20 EP claimed
US-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol L'OREAL S.A. (FR) 2005-09-22 US claimed
EP-1570835-A1 Composition for the permanent deformatioh of the hair comprising at least one carboxydithiol L'OREAL (FR) 2005-09-07 EP claimed
US-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol L'OREAL S.A. (FR) 2005-09-22 US disclosed
EP-1570835-A1 Composition for the permanent deformatioh of the hair comprising at least one carboxydithiol 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 (1 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-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol CTH, BHMT2, CRAT ALDH1A1 390/4885KDM4E 604/4885PKM 4120/4885

“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.