SCHEMBL2875019

SCHEMBL2875019

O=C(NCCO)C(CS)CCCS

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
FOLH1 Q04609 4/20 0.39
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
TSHR P16473 1/20 0.36
CPB2 Q96IY4 2/20 0.36
PTGS1 P23219 1/20 0.35
KCNH2 Q12809 1/20 0.35
CNR1 P21554 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
SCHEMBL2873885 0.95 USP2 (0.44) USP2MEN1ALDH1A1MAPTKMT2A
SCHEMBL2876943 0.89 ALDH1A1 (0.48) USP2MEN1ALDH1A1MAPTKMT2A
SCHEMBL2880184 0.84 ALDH1A1 (0.56) USP2MEN1ALDH1A1MAPTKMT2A
SCHEMBL2877900 0.81 HDAC7 (0.46) USP2MEN1ALDH1A1MAPTKMT2A
SCHEMBL2876480 0.81 USP2 (0.41) USP2ALDH1A1FOLH1MMEACE
SCHEMBL2871448 0.80 ALDH1A1 (0.52) USP2MEN1ALDH1A1MAPTKMT2A
SCHEMBL2877694 0.79 FOLH1 (0.40) USP2ALDH1A1FOLH1MMEACE
SCHEMBL2868478 0.77 USP2 (0.59) USP2MEN1ALDH1A1MAPTKMT2A
SCHEMBL2868512 0.76 USP2 (0.40) USP2ALDH1A1FOLH1MMEACE
SCHEMBL2875116 0.75 FOLH1 (0.37) ALDH1A1FOLH1CPB2

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 1040/4885MEN1 1081/4885ALDH1A1 390/4885

“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.