SCHEMBL13610287

SCHEMBL13610287

Cc1nccc(-c2cccs2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.66
RAB9A P51151 7/20 0.66
L3MBTL1 Q9Y468 4/20 0.66
GAA P10253 4/20 0.66
GLA P06280 2/20 0.66
ALDH1A1 P00352 9/20 0.64
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
HPGD P15428 3/20 0.62
MAPT P10636 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
NPC1 O15118 5/20 0.55
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP19A1 P11511 1/20 0.47
HSD17B10 Q99714 2/20 0.47

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
SCHEMBL21398159 0.79 KDM4E (0.57) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL14204220 0.78 ALDH1A1 (0.64) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL3225225 0.78 ALDH1A1 (0.64) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL623986 0.78 ALDH1A1 (1.00) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL2345970 0.78 ALDH1A1 (0.69) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL9438552 0.78 ALDH1A1 (0.64) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL1536347 0.78 KDM4E (0.64) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL8349996 0.77 KDM4E (0.58) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL2733797 0.77 ALDH1A1 (0.58) KDM4ERAB9AL3MBTL1GAAGLA
SCHEMBL2759540 0.77 ALDH1A1 (0.58) KDM4ERAB9AL3MBTL1GAAGLA

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 10 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
US-20080293745-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-27 US disclosed
US-20080293745-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-27 US disclosed
WO-2007034251-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2007-03-29 WO 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 (2 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-20080293745-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 KDM4E 3442/4885RAB9A 1905/4885L3MBTL1 3346/4885
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF TST, CTH, CBS KDM4E 1950/4885RAB9A 4609/4885L3MBTL1 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.