SCHEMBL13610428

SCHEMBL13610428

c1coc(CSSSCc2ccc3scnc3c2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 8/20 0.35
HSD17B10 Q99714 4/20 0.34
HPGD P15428 4/20 0.34
MAPT P10636 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MCL1 Q07820 6/20 0.33
TDP1 Q9NUW8 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30
HCRTR1 O43613 1/20 0.30

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
SCHEMBL13610429 0.80 ALDH1A1 (0.37) TSHRALDH1A1HSD17B10HPGDNPC1
SCHEMBL13610439 0.78 ALDH1A1 (0.43) TSHRALDH1A1HSD17B10KDM4EPKM
SCHEMBL13610350 0.78 TDP1 (0.41) ALDH1A1HSD17B10HPGDMAPTNPC1
SCHEMBL13610448 0.76 ALDH1A1 (0.44) TSHRALDH1A1HSD17B10HPGDMAPT
SCHEMBL13610431 0.76 SMN1; SMN2 (0.40) TSHRALDH1A1HSD17B10HPGDMAPT
SCHEMBL13610438 0.75 HSD17B10 (0.37) ALDH1A1HSD17B10
SCHEMBL13610306 0.74 L3MBTL1 (0.44) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL13610432 0.74 ALDH1A1 (0.33) ALDH1A1HSD17B10
SCHEMBL13610446 0.74 ALDH1A1 (0.39) ALDH1A1HSD17B10NPC1RAB9ATDP1
SCHEMBL13610437 0.73 RAB9A (0.44) TSHRALDH1A1HSD17B10HPGDMAPT

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 TSHR 1867/4885ALDH1A1 285/4885HSD17B10 2102/4885

“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.