SCHEMBL2880184

SCHEMBL2880184

O=C(NCCO)C(CS)CS

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
USP2 O75604 2/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 2/20 0.44
MME P08473 4/20 0.42
ACE P12821 3/20 0.42
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
ECE1 P42892 1/20 0.37
BLM P54132 1/20 0.37
NPEPPS P55786 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS1 P23219 1/20 0.33
KCNH2 Q12809 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
SCHEMBL2876943 0.87 ALDH1A1 (0.48) ALDH1A1USP2MEN1MAPTKMT2A
SCHEMBL2868478 0.87 USP2 (0.59) ALDH1A1USP2MEN1MAPTKMT2A
SCHEMBL2877900 0.84 HDAC7 (0.46) ALDH1A1USP2MEN1MAPTKMT2A
SCHEMBL2875019 0.84 USP2 (0.45) ALDH1A1USP2MEN1MAPTKMT2A
SCHEMBL2873885 0.82 USP2 (0.44) ALDH1A1USP2MEN1MAPTKMT2A
SCHEMBL2871448 0.82 ALDH1A1 (0.52) ALDH1A1USP2MEN1MAPTKMT2A
SCHEMBL525215 0.80 ALDH1A1 (0.61) ALDH1A1USP2MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL9247132 0.78 ALDH1A1 (0.58) ALDH1A1USP2MEN1MAPTKMT2A
SCHEMBL9059858 0.77 MEN1 (0.52) ALDH1A1USP2MEN1MAPTKMT2A
SCHEMBL15862124 0.77 MEN1 (0.52) ALDH1A1USP2MEN1MAPTKMT2A

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 390/4885USP2 1040/4885MEN1 1081/4885

“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.