SCHEMBL2875129

SCHEMBL2875129

CN(C)CCNC(=O)C(CS)CS

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.48
TSHR P16473 1/20 0.48
DNM1 Q05193 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
SETD7 Q8WTS6 1/20 0.37
ANPEP P15144 1/20 0.37

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
SCHEMBL2880181 0.91 USP2 (0.59) USP2TSHRDNM1ALDH1A1KDM4E
SCHEMBL2880160 0.91 USP2 (0.44) USP2TSHRDNM1ALDH1A1KDM4E
SCHEMBL2876480 0.88 USP2 (0.41) USP2TSHRDNM1ALDH1A1KDM4E
SCHEMBL2876900 0.88 TSHR (0.46) USP2TSHRDNM1ALDH1A1KDM4E
SCHEMBL2875724 0.86 USP2 (0.47) USP2TSHRDNM1ALDH1A1KDM4E
SCHEMBL2868512 0.86 USP2 (0.40) USP2TSHRDNM1ALDH1A1KDM4E
SCHEMBL13850713 0.83 USP2 (0.71) USP2TSHRDNM1ALDH1A1KDM4E
SCHEMBL2876635 0.82 KDM4E (0.42) USP2TSHRDNM1ALDH1A1KDM4E
SCHEMBL2877948 0.82 USP2 (0.57) USP2TSHRDNM1ALDH1A1KDM4E
SCHEMBL21232896 0.78 TSHR (0.52) USP2TSHRDNM1ALDH1A1KDM4E

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 USP2 1040/4885TSHR 2850/4885DNM1 3086/4885

“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.