SCHEMBL13610491

SCHEMBL13610491

c1csc(CSSSCc2cnccn2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
ADRA1D P25100 2/20 0.35
HSD17B10 Q99714 4/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 5/20 0.34
CYP2D6 P10635 4/20 0.34
CYP1A2 P05177 3/20 0.34
ALOX15 P16050 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA3 P0DMS8 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
SCHEMBL13610468 0.82 SMN1; SMN2 (0.47) TSHRHSD17B10ALDH1A1RAB9ANPC1
SCHEMBL4262202 0.79 TAAR1 (0.46) TSHRADRA1DHSD17B10ALDH1A1RAB9A
SCHEMBL11337822 0.78 ADRA1D (0.47) TSHRTRPM8ADRA1DHSD17B10ALDH1A1
SCHEMBL13610472 0.76 RAB9A (0.46) TSHRALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL28425160 0.76 TAAR1 (0.44) TSHRTRPM8ADRA1DHSD17B10ALDH1A1
SCHEMBL13610488 0.73 TDP1 (0.43) TSHRHSD17B10ALDH1A1RAB9ANPC1
SCHEMBL13610513 0.73 RAB9A (0.45) ALDH1A1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL13610496 0.73 RAB9A (0.35) RAB9ANPC1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL13610497 0.72 CYP1A2 (0.41) HSD17B10ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL13610504 0.71 CYP2A6 (0.42) ALDH1A1RAB9ASMN1; SMN2ALOX15CYP2A6

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 TSHR 1867/4885TRPM8 2288/4885ADRA1D 4792/4885

“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.