SCHEMBL6155036

SCHEMBL6155036

CN(c1ccc(Cl)c(Cl)c1)c1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)c2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
P2RY1 P47900 2/20 0.36
ADORA2A P29274 1/20 0.36
S1PR1 P21453 2/20 0.35
TLR7 Q9NYK1 2/20 0.35

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
SCHEMBL6155267 0.80 HSD17B10 (0.40) HSD17B10LMNANPC1HPGDROCK2
SCHEMBL6680592 0.80 LMNA (0.42) HSD17B10LMNANPC1HPGDCYP1A2
SCHEMBL6153971 0.79 S1PR1 (0.40) HSD17B10LMNANPC1HPGDP2RY1
SCHEMBL6154582 0.79 CETP (0.41) HSD17B10LMNANPC1HPGDROCK2
SCHEMBL6155264 0.78 CETP (0.40) HSD17B10LMNANPC1HPGDROCK2
SCHEMBL6153748 0.77 GUSB (0.54) NPSR1L3MBTL1ROCK2ROCK1P2RY1
SCHEMBL6154990 0.76 P2RY1 (0.40) HSD17B10LMNANPC1HPGDP2RY1
SCHEMBL6155039 0.74 CLK4 (0.41) CYP1A2CYP2C9CYP2C19NPSR1L3MBTL1
SCHEMBL5552851 0.73 NOTUM (0.56) HSD17B10LMNANPC1CYP1A2CYP2C9
SCHEMBL7775742 0.72 KDR (0.48) L3MBTL1HTR2ASLC6A4KCNH2P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP claimed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO 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 HSD17B10 3147/4885LMNA 4884/4885NPC1 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.