SCHEMBL13610466

SCHEMBL13610466

c1csc(-c2ccnc(SSSCc3ccc4nonc4c3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 1/20 0.40
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 6/20 0.38
MAPT P10636 5/20 0.38
GBA1 P04062 1/20 0.38
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
PKM P14618 1/20 0.34
ALOX12 P18054 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
SCHEMBL13610447 0.84 RAB9A (0.40) ALDH1A1RAB9ANPSR1KDM4EMAPT
SCHEMBL13610362 0.81 RAB9A (0.48) ALDH1A1TSHRRAB9AMAPK1NPSR1
SCHEMBL13610460 0.80 ALDH1A1 (0.48) ALDH1A1TSHRALOX15MAPK1HSD17B10
SCHEMBL13610330 0.78 RAB9A (0.45) ALDH1A1TSHRRAB9AMAPK1NPSR1
SCHEMBL13610404 0.78 KDM4E (0.40) ALDH1A1RAB9ANPSR1KDM4EMAPT
SCHEMBL13610487 0.76 MAPT (0.52) ALDH1A1RAB9ANPSR1KDM4EMAPT
SCHEMBL13610383 0.76 RAB9A (0.40) ALDH1A1RAB9ANPSR1KDM4EMAPT
SCHEMBL13610528 0.74 RAB9A (0.49) ALDH1A1TSHRRAB9AHSD17B10NPSR1
SCHEMBL13610513 0.74 RAB9A (0.45) ALDH1A1RAB9ANPSR1KDM4EMAPT
SCHEMBL13610449 0.74 ALDH1A1 (0.46) ALDH1A1TSHRRAB9AALOX15MAPK1

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 ALDH1A1 285/4885TSHR 1867/4885RAB9A 4609/4885

“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.