SCHEMBL2872017

SCHEMBL2872017

CC(CNC(=O)C(CS)CS)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.39
CHRNA4 P43681 8/20 0.39
CHRNB4 P30926 7/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
CHRNA3 P32297 5/20 0.35
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MME P08473 3/20 0.33
ACE P12821 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ECE1 P42892 1/20 0.33
BLM P54132 1/20 0.33
NPEPPS P55786 1/20 0.33
KMT2A Q03164 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
SCHEMBL2874709 0.91 USP2 (0.47) CHRNB2CHRNA4CHRNB4USP2TSHR
SCHEMBL2877735 0.90 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4USP2TSHR
SCHEMBL2871693 0.88 HDAC7 (0.39) CHRNB2CHRNA4CHRNB4USP2TSHR
SCHEMBL2874910 0.87 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4USP2TSHR
SCHEMBL2868143 0.85 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4USP2TSHR
SCHEMBL2871472 0.85 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4USP2TSHR
SCHEMBL2877915 0.85 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3HDAC4
SCHEMBL2874628 0.81 USP2 (0.44) CHRNB2CHRNA4CHRNB4USP2TSHR
SCHEMBL2877517 0.80 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3MME
SCHEMBL28793938 0.79 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4USP2TSHR

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 CHRNB2 3937/4885CHRNA4 3504/4885CHRNB4 3740/4885

“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.