SCHEMBL4134741

SCHEMBL4134741

CCOP(=O)(COc1cc(Cl)c(C)c2sc(N)nc12)OCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
MAPT P10636 1/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4133011 0.85 HTT (0.41) HTTSMN1; SMN2ALDH1A1
SCHEMBL4295415 0.79 HSP90AA1 (0.34) HSP90AA1HSP90AB1MAPTHSD17B10ALDH1A1
SCHEMBL4132109 0.79 MAPT (0.34) MAPTHSD17B10ALDH1A1TP53CYP3A4
SCHEMBL4128999 0.77 NSD1 (0.44) HSP90AA1HSP90AB1MAPTHSD17B10ALDH1A1
SCHEMBL4121585 0.74 HTT (0.40) HTTMAPTHSD17B10ALDH1A1TP53
SCHEMBL4134396 0.73 FBP1 (0.42) HTTSMN1; SMN2ALDH1A1
SCHEMBL4144147 0.73 MYC (0.35)
SCHEMBL4141678 0.72 FBP1 (0.41) HTTMAPTALDH1A1
SCHEMBL14283764 0.72 HTT (0.46) HTTSMN1; SMN2HSD17B10
SCHEMBL4132054 0.71 TDP1 (0.55) HTTSMN1; SMN2MAPTHSD17B10ALDH1A1

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-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS JIANG TAO 2009-07-30 US disclosed
US-6965033-B2 Bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. (US) 2005-11-15 US disclosed
US-20050004077-A1 Novel bisamidate phosphonate prodrugs JIANG TAO (US) 2005-01-06 US disclosed
US-20020173490-A1 Novel bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. 2002-11-21 US 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 (3 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-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 HTT 4353/4885SMN1; SMN2 2797/4885HSP90AA1 3666/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 HTT 4308/4885SMN1; SMN2 3337/4885HSP90AA1 4262/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 HTT 4308/4885SMN1; SMN2 3337/4885HSP90AA1 4262/4885

“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.