SCHEMBL13610437

SCHEMBL13610437

c1ccc2sc(CSSSCc3ccc4scnc4c3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
SMN1; SMN2 Q16637 8/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
HPGD P15428 3/20 0.41
UBE2T Q9NPD8 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
MAPT P10636 4/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL13610461 0.80 SMN1; SMN2 (0.43) RAB9ANPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13610356 0.77 SMN1; SMN2 (0.53) RAB9ANPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13610431 0.77 SMN1; SMN2 (0.40) RAB9ANPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13610434 0.76 FFAR2 (0.42) ALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL13610350 0.76 TDP1 (0.41) RAB9ANPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13610429 0.75 ALDH1A1 (0.37) RAB9ANPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13610311 0.74 RAB9A (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL13610443 0.74 SMN1; SMN2 (0.40) RAB9ANPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13610438 0.74 HSD17B10 (0.37) ALDH1A1HSD17B10MAPK1
SCHEMBL13610439 0.74 ALDH1A1 (0.43) ALDH1A1HSD17B10SMN1; SMN2KMT2ATSHR

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 RAB9A 4609/4885NPC1 3127/4885ALDH1A1 285/4885

“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.