SCHEMBL6154582

SCHEMBL6154582

COC(=O)c1ccc(CN(c2ccc(Cl)c(Cl)c2)c2nnc(-c3cccc(Oc4cccc(C(F)(F)F)c4)c3)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.41
S1PR1 P21453 3/20 0.40
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
P2RY1 P47900 2/20 0.39
MAPT P10636 2/20 0.38
CACNA1B Q00975 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6680592 0.92 LMNA (0.42) CETPS1PR1HPGDHSD17B10NPC1
SCHEMBL6153971 0.92 S1PR1 (0.40) CETPS1PR1HPGDHSD17B10NPC1
SCHEMBL6155264 0.89 CETP (0.40) CETPS1PR1HPGDHSD17B10NPC1
SCHEMBL6155267 0.87 HSD17B10 (0.40) S1PR1HPGDHSD17B10NPC1LMNA
SCHEMBL6154990 0.87 P2RY1 (0.40) CETPHPGDHSD17B10NPC1LMNA
SCHEMBL4955510 0.82 NR1H2 (0.38) CETPS1PR1HPGDHSD17B10NPC1
SCHEMBL6154034 0.81 KMO (0.47) HPGDHSD17B10NPC1LMNAHDAC1
SCHEMBL4957662 0.81 NR1H2 (0.37) CETPS1PR1HPGDHSD17B10NPC1
SCHEMBL4955416 0.80 CETP (0.38) CETPS1PR1HPGDHSD17B10NPC1
SCHEMBL6155070 0.80 PTPN5 (0.45) HPGDHSD17B10NPC1LMNAROCK2

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 CETP 4049/4885S1PR1 1193/4885HPGD 3168/4885

“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.