SCHEMBL6154585

SCHEMBL6154585

CCOc1cccc(-c2nnc(Nc3ccc(F)c(Cl)c3)s2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
GUSB P08236 2/20 0.49
ROCK1 Q13464 2/20 0.46
ROCK2 O75116 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDO2 P48775 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
FBP1 P09467 1/20 0.43
IDO1 P14902 1/20 0.42
SYK P43405 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL6154672 0.90 GUSB (0.61) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6154871 0.88 GUSB (0.61) KDM4EALDH1A1HPGDHSD17B10GUSB
SCHEMBL6153921 0.87 NOTUM (0.53) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6153577 0.81 NOTUM (0.65) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6154281 0.80 NOTUM (0.57) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6154211 0.80 NOTUM (0.54) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6153628 0.78 ROCK1 (0.53) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6690137 0.78 GUSB (0.48) KDM4EALDH1A1HPGDHSD17B10GUSB
SCHEMBL6153546 0.76 GUSB (0.49) KDM4EALDH1A1HPGDHSD17B10GUSB
SCHEMBL6156315 0.76 ALDH1A1 (0.54) NOTUMKDM4EALDH1A1HPGDHSD17B10

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 NOTUM 1783/4885KDM4E 1133/4885ALDH1A1 961/4885

“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.