SCHEMBL13610453

SCHEMBL13610453

c1ccc(-c2cc(CSSSCc3ccc4nonc4c3)no2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.48
NOTUM Q6P988 1/20 0.46
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MPO P05164 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 2/20 0.35
TOP2A P11388 2/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL13610433 0.81 NOTUM (0.45) TDP1ALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL13610344 0.81 TDP1 (0.51) TDP1ALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL13610302 0.78 RAB9A (0.53) TDP1ALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL13610454 0.77 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RAB9AALOX15TSHR
SCHEMBL13610469 0.76 NOTUM (0.51) TDP1ALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL13610458 0.73 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2ALOX15TSHRMAPK1
SCHEMBL13610449 0.73 ALDH1A1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2RAB9AALOX15
SCHEMBL13610492 0.72 TDP1 (0.48) TDP1ALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL13610518 0.72 L3MBTL1 (0.45) TDP1ALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL13610351 0.72 ALDH1A1 (0.48) TDP1ALDH1A1L3MBTL1SMN1; SMN2ALOX15

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 TDP1 1801/4885ALDH1A1 285/4885L3MBTL1 884/4885

“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.