SCHEMBL2876480

SCHEMBL2876480

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.41
TSHR P16473 1/20 0.41
DNM1 Q05193 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
FOLH1 Q04609 1/20 0.36
MAPK1 P28482 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
HPGD P15428 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL2868512 0.95 USP2 (0.40) USP2TSHRDNM1HTTSMN1; SMN2
SCHEMBL2880160 0.90 USP2 (0.44) USP2TSHRDNM1HTTSMN1; SMN2
SCHEMBL2875129 0.88 USP2 (0.48) USP2TSHRDNM1HTTSMN1; SMN2
SCHEMBL2876900 0.87 TSHR (0.46) USP2TSHRDNM1HTTSMN1; SMN2
SCHEMBL2880181 0.83 USP2 (0.59) USP2TSHRDNM1HTTSMN1; SMN2
SCHEMBL2875724 0.82 USP2 (0.47) USP2TSHRDNM1HTTSMN1; SMN2
SCHEMBL2875019 0.81 USP2 (0.45) USP2TSHRALDH1A1FOLH1MME
SCHEMBL2877694 0.79 FOLH1 (0.40) USP2TSHRALDH1A1FOLH1MAPK1
SCHEMBL2877948 0.78 USP2 (0.57) USP2TSHRDNM1HTTSMN1; SMN2
SCHEMBL2874910 0.78 CHRNB2 (0.37) USP2TSHRFOLH1HDAC4HDAC6

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.