SCHEMBL13610429

SCHEMBL13610429

c1csc(CSSSCc2ccc3scnc3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RIPK2 O43353 5/20 0.33
RIPK3 Q9Y572 3/20 0.33
OPRK1 P41145 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
ESR1 P03372 1/20 0.30
FFAR1 O14842 1/20 0.30
AURKA O14965 1/20 0.30
HIF1A Q16665 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
SCHEMBL13610439 0.80 ALDH1A1 (0.43) ALDH1A1HSD17B10SMN1; SMN2PKMTSHR
SCHEMBL13610350 0.80 TDP1 (0.41) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL13610428 0.80 TSHR (0.36) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL13610449 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL13610431 0.78 SMN1; SMN2 (0.40) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL13610438 0.77 HSD17B10 (0.37) ALDH1A1HSD17B10RIPK2FFAR1AURKA
SCHEMBL13610306 0.76 L3MBTL1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL13610432 0.76 ALDH1A1 (0.33) ALDH1A1HSD17B10
SCHEMBL13610446 0.76 ALDH1A1 (0.39) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL13610434 0.75 FFAR2 (0.42) ALDH1A1HSD17B10SMN1; SMN2TAAR1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742635-B1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES INC (US) 2018-03-07 EP disclosed
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 ALDH1A1 285/4885HSD17B10 2102/4885NPC1 3127/4885

“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.