SCHEMBL13610486

SCHEMBL13610486

c1ccc(CSSSc2nc3ccccc3o2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.43
ADRA2C P18825 1/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 4/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 1/20 0.42
PTGS2 P35354 3/20 0.42

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
SCHEMBL13610509 0.86 PTGS2 (0.43) DDAH1ADRA2CSMN1; SMN2RAB9ANPC1
SCHEMBL10867492 0.83 SMN1; SMN2 (0.56) DDAH1ADRA2CSMN1; SMN2RAB9ANPC1
SCHEMBL13610364 0.76 HPGD (0.48) DDAH1ADRA2CSMN1; SMN2RAB9ANPC1
SCHEMBL13610533 0.74 SMN1; SMN2 (0.72) DDAH1ADRA2CSMN1; SMN2RAB9ANPC1
SCHEMBL4188069 0.74 DDAH1 (0.59) DDAH1ADRA2CSMN1; SMN2RAB9ANPC1
SCHEMBL13610327 0.73 ALDH1A1 (0.52) DDAH1ADRA2CSMN1; SMN2RAB9ANPC1
SCHEMBL13610480 0.73 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL11824208 0.73 DDAH1 (0.60) DDAH1ADRA2CSMN1; SMN2RAB9ANPC1
SCHEMBL13610464 0.72 DDAH1 (0.43) DDAH1ADRA2CSMN1; SMN2RAB9ANPC1
SCHEMBL13610443 0.71 SMN1; SMN2 (0.40) DDAH1ADRA2CSMN1; SMN2RAB9ANPC1

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 DDAH1 608/4885ADRA2C 4689/4885SMN1; SMN2 1171/4885

“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.