SCHEMBL6155905

SCHEMBL6155905

COC(=O)c1ccc(CNc2nnc(-c3cccc(Oc4ccccc4)c3)s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
RXFP1 Q9HBX9 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
GLS O94925 1/20 0.45
ESR1 P03372 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 4/20 0.44

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
SCHEMBL6153779 0.91 CSNK2A2 (0.48) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL4954631 0.78 NPC1 (0.71) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL4955834 0.73 NOTUM (0.55) NPC1RAB9AMEN1KMT2AHSD17B10
SCHEMBL25218968 0.72 HDAC6 (0.70) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL14090389 0.71 CCNC (0.49) NPC1RAB9ARXFP1HSD17B10HPGD
SCHEMBL16211539 0.70 HDAC3 (0.64) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL12425519 0.70 CSNK2A2 (0.51) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL28587303 0.70 HDAC6 (0.62) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL6538456 0.70 MAPT (0.66) NPC1RAB9ARXFP1MEN1KMT2A
SCHEMBL4954816 0.70 GUSB (0.56) NPC1RAB9AMEN1KMT2AHSD17B10

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 3 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 disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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 (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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP NPC1 4548/4885RAB9A 3814/4885RXFP1 4729/4885

“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.