SCHEMBL521682

SCHEMBL521682

COC(=O)c1c(F)c(F)c(CO)c(F)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
GCGR P47871 1/20 0.37
MAPT P10636 1/20 0.34
HSP90B1 P14625 6/20 0.34
HSP90AA1 P07900 3/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
RECQL P46063 1/20 0.33
IMPDH2 P12268 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NR4A2 P43354 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
SCHEMBL521688 0.87 TSHR (0.58) TSHRMAPK1GCGRMAPTRECQL
SCHEMBL522512 0.81 TSHR (0.50) TSHRMAPK1MAPTHSP90B1HSP90AA1
SCHEMBL1901154 0.81 TSHR (0.48) TSHRMAPK1MAPTHSP90B1HSP90AA1
SCHEMBL542761 0.78 CES2 (0.38) CES2CES1IMPDH2
SCHEMBL1900239 0.77 TSHR (0.42) TSHRMAPK1MAPTHSP90B1HSP90AA1
SCHEMBL19478297 0.77 TSHR (0.42) TSHRMAPK1MAPTCES2CES1
SCHEMBL522651 0.76 CA12 (0.38) TSHRMAPK1GCGRHSP90B1HSP90AA1
SCHEMBL522175 0.72 TSHR (0.61) TSHRMAPK1MAPTRECQLCA12
SCHEMBL23169065 0.72 TSHR (0.53) TSHRMAPK1MAPTRECQLCA12
SCHEMBL20529615 0.71 TSHR (0.47) TSHRMAPK1MAPTHSP90B1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 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 (2 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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 TSHR 2221/4885MAPK1 3196/4885GCGR 2442/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 TSHR 2411/4885MAPK1 2681/4885GCGR 1306/4885

“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.