SCHEMBL6155931

SCHEMBL6155931

N#Cc1ccc(-c2csc(Nc3ccc(Cl)c(Cl)c3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.67
CFTR P13569 2/20 0.61
ALOX5 P09917 9/20 0.60
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
AMY1A P0DUB6 2/20 0.51
ALOX15 P16050 2/20 0.51
TSHR P16473 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
DEGS1 O15121 1/20 0.51
MAP4K4 O95819 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPKAPK2 P49137 1/20 0.51
PIM3 Q86V86 1/20 0.51
MINK1 Q8N4C8 1/20 0.51
SPHK2 Q9NRA0 1/20 0.51

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
SCHEMBL208320 0.93 VCP (0.71) VCPCFTRALOX5SMN1; SMN2KDM4E
SCHEMBL12298351 0.89 VCP (0.63) VCPCFTRALOX5SMN1; SMN2KDM4E
SCHEMBL206229 0.86 VCP (0.76) VCPCFTRALOX5SMN1; SMN2MAPT
SCHEMBL208192 0.85 ALOX5 (0.72) VCPALOX5MAPTMEN1AMY1A
SCHEMBL205976 0.85 ALOX5 (0.80) VCPCFTRALOX5SMN1; SMN2KDM4E
SCHEMBL12298368 0.85 ALOX5 (0.75) VCPCFTRALOX5SMN1; SMN2KDM4E
SCHEMBL205107 0.84 CFTR (0.65) VCPCFTRALOX5KDM4EMAPT
SCHEMBL6156291 0.83 MEN1 (0.66) VCPCFTRALOX5SMN1; SMN2MAPT
SCHEMBL205448 0.83 ALOX5 (0.65) VCPCFTRALOX5SMN1; SMN2KDM4E
SCHEMBL26126062 0.83 ALOX5 (0.85) VCPALOX5SMN1; SMN2KDM4EMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US claimed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 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 (3 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-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA APP, BACE1, BACE2 VCP 635/4885CFTR 3990/4885ALOX5 1213/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 VCP 635/4885CFTR 3990/4885ALOX5 1213/4885
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP VCP 2885/4885CFTR 2788/4885ALOX5 3709/4885

“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.