SCHEMBL13610302

SCHEMBL13610302

COc1ccc(CSSSCc2cc(-c3ccccc3)on2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
SLC6A9 P48067 1/20 0.46
NOTUM Q6P988 1/20 0.46
MAPT P10636 5/20 0.44
HPGD P15428 2/20 0.44
RECQL P46063 1/20 0.44
MME P08473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL13610344 0.84 TDP1 (0.51) RAB9ANPC1ALDH1A1TDP1L3MBTL1
SCHEMBL13610453 0.78 TDP1 (0.48) RAB9ANPC1ALDH1A1TDP1L3MBTL1
SCHEMBL13610469 0.76 NOTUM (0.51) RAB9ANPC1ALDH1A1TDP1L3MBTL1
SCHEMBL13610433 0.74 NOTUM (0.45) RAB9ANPC1ALDH1A1TDP1L3MBTL1
SCHEMBL13610492 0.72 TDP1 (0.48) RAB9ANPC1ALDH1A1TDP1L3MBTL1
SCHEMBL13610296 0.72 ALDH1A1 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4544353 0.71 NPC1 (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17084387 0.70 NPC1 (1.00) RAB9ANPC1ALDH1A1TDP1L3MBTL1
SCHEMBL13610299 0.70 LTA4H (0.53) RAB9ANPC1TDP1L3MBTL1
SCHEMBL1754915 0.70 NPC1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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 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.