SCHEMBL7718893

SCHEMBL7718893

CC(C)(CS)C(=O)NC(CS)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
PTGS2 P35354 1/20 0.57
THPO P40225 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ACE P12821 5/20 0.52
FOLH1 Q04609 3/20 0.44
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
MME P08473 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
FNTA P49354 1/20 0.34
FNTB P49356 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
SCHEMBL929540 1.00 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929062 1.00 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL31234818 0.87 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929929 0.85 KDM4E (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929932 0.85 KDM4E (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929930 0.85 KDM4E (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6661780 0.84 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9324856 0.84 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6661779 0.84 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL9302406 0.84 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1

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
US-20210000727-A1 DITHIAZOCANE COMPOUNDS FOR THE COSMETIC USE THEREOF L'OREAL (FR) 2021-01-07 US disclosed
US-20210000727-A1 DITHIAZOCANE COMPOUNDS FOR THE COSMETIC USE THEREOF L'OREAL (FR) 2021-01-07 US disclosed
EP-3728245-A1 DITHIAZOCANE COMPOUNDS FOR THE COSMETIC USE THEREOF L'OREAL (FR) 2020-10-28 EP disclosed
CN-111527086-A Diazacyclooctane compounds for their cosmetic use 莱雅公司 2020-08-11 CN disclosed
US-6379664-B1 ADMINISTERING HUMAN LENSE THIOTRANSFERASE INHIBITOR POLYPEPTIDE BOARD OF REGENTS UNIVERSITY OF NEBRASKA-LINCOLN 2002-04-30 US 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-20210000727-A1 DITHIAZOCANE COMPOUNDS FOR THE COSMETIC USE THEREOF KRT18, DSG1, KRTCAP2 KDM4E 138/4885MAPT 883/4885THRB 3394/4885

“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.