SCHEMBL6153779

SCHEMBL6153779

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 6/20 0.48
CSNK2A1 P68400 6/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SRD5A2 P31213 1/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
FFAR1 O14842 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6155905 0.91 NPC1 (0.50) CSNK2A2CSNK2A1NPC1RAB9AHDAC1
SCHEMBL4958895 0.76 PTGES (0.57) HSD17B10PTGESALOX5
SCHEMBL14043916 0.72 FFAR1 (0.70) SRD5A2FFAR1HPGD
SCHEMBL4748821 0.71 FFAR1 (0.74) FFAR1
SCHEMBL29963803 0.71 SRD5A2 (0.65) SRD5A2FFAR1KDM4EPTGESALOX5
SCHEMBL5042492 0.71 SRD5A2 (0.65) SRD5A2FFAR1KDM4EPTGESALOX5
SCHEMBL6155039 0.70 CLK4 (0.41)
SCHEMBL14044004 0.70 VNN1 (0.59) SRD5A2HDAC1HDAC2HDAC8HDAC6
SCHEMBL4954631 0.70 NPC1 (0.71) CSNK2A2CSNK2A1NPC1RAB9AMEN1
SCHEMBL6153810 0.69 KMO (0.55) NPC1RAB9AHDAC1HDAC6MEN1

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 4 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-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 CSNK2A2 1209/4885CSNK2A1 1465/4885NPC1 4548/4885

“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.