SCHEMBL13610447

SCHEMBL13610447

c1csc(-c2ccnc(SSSCc3ccc4scnc4c3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 8/20 0.38
ALDH1A1 P00352 7/20 0.38
MAPT P10636 6/20 0.38
GBA1 P04062 1/20 0.38
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
RIPK2 O43353 2/20 0.34
RIPK3 Q9Y572 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
SREBF2 Q12772 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13610466 0.84 ALDH1A1 (0.43) RAB9ANPSR1KDM4EALDH1A1MAPT
SCHEMBL13610438 0.82 HSD17B10 (0.37) ALDH1A1RIPK2
SCHEMBL13610362 0.81 RAB9A (0.48) RAB9ANPSR1KDM4EALDH1A1MAPT
SCHEMBL13610330 0.78 RAB9A (0.45) RAB9ANPSR1KDM4EALDH1A1MAPT
SCHEMBL13610404 0.78 KDM4E (0.40) RAB9ANPSR1KDM4EALDH1A1MAPT
SCHEMBL13610528 0.77 RAB9A (0.49) RAB9ANPSR1KDM4EALDH1A1MAPT
SCHEMBL13610487 0.76 MAPT (0.52) RAB9ANPSR1KDM4EALDH1A1MAPT
SCHEMBL13610383 0.76 RAB9A (0.40) RAB9ANPSR1KDM4EALDH1A1MAPT
SCHEMBL13610429 0.74 ALDH1A1 (0.37) RAB9AALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL13610513 0.74 RAB9A (0.45) RAB9ANPSR1KDM4EALDH1A1MAPT

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 4609/4885NPSR1 379/4885KDM4E 1950/4885

“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.