SCHEMBL13610488

SCHEMBL13610488

c1coc(CSSSCc2cnccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.43
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 6/20 0.37
HSD17B10 Q99714 4/20 0.37
MAPK1 P28482 2/20 0.37
GFER P55789 1/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
ADORA1 P30542 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL6129995 0.88 ALDH1A1 (0.52) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13610467 0.82 CYP1A2 (0.51) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL6129993 0.81 ALDH1A1 (0.45) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL25435114 0.79 TSHR (0.47) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL8488741 0.78 ALDH1A1 (0.49) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13610472 0.76 RAB9A (0.46) TDP1ALDH1A1LMNAKDM4ETSHR
SCHEMBL25435426 0.75 TSHR (0.43) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL30665030 0.74 ALDH1A1 (0.46) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL4226888 0.74 ALDH1A1 (0.46) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL11516114 0.74 ALDH1A1 (0.46) TDP1ALDH1A1MEN1KMT2AKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334316-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES, INC. (US) 2012-12-18 US disclosed
US-8334316-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES, INC. (US) 2012-12-18 US disclosed
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US disclosed
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US disclosed
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES, INC. (US) 2009-07-30 US disclosed
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES, INC. (US) 2009-07-30 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-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF TST, CTH, CBS TDP1 1801/4885ALDH1A1 285/4885MEN1 2581/4885

“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.