SCHEMBL7528685

SCHEMBL7528685

CCC(C)OP(=O)(O)c1cccc(-c2ccc(CO)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.37
PTPN5 P54829 6/20 0.36
PTGS2 P35354 1/20 0.35
MGLL Q99685 2/20 0.35
MAPT P10636 2/20 0.34
GGPS1 O95749 1/20 0.34
HPGD P15428 1/20 0.34
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
GRIK1 P39086 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
FBP1 P09467 1/20 0.33
BCL2 P10415 1/20 0.33

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
SCHEMBL7526327 0.89 PTPN5 (0.36) PTPN5PTGS2MAPTGGPS1GRIK1
SCHEMBL8922173 0.76 ALDH1A1 (0.38) FBP1
SCHEMBL5256681 0.76 ALDH1A1 (0.39) MAPTHPGD
SCHEMBL916036 0.76 HPGD (0.38) HPGD
SCHEMBL7587096 0.75 MAPT (0.40) PTPN5PTGS2MAPTGGPS1HPGD
SCHEMBL7528673 0.75 MEN1 (0.43) MGLLMAPTHPGDPRMT5WDR77
SCHEMBL778445 0.75 ALDH1A1 (0.47)
SCHEMBL917313 0.72 NPSR1 (0.46) HPGD
SCHEMBL11809426 0.71 ALDH1A1 (0.36) MAPT
SCHEMBL8499678 0.71 ALOX5 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6486141-B2 TREATING OR PREVENTING PTP-1B MEDIATED DISEASES, INCLUDING DIABETES, OBESITY, AND DIABETES-RELATED CONDITIONS. MERCK FROSST CANADA & CO. (CA) 2002-11-26 US disclosed
US-20020052346-A1 Phosphonic acid biaryl derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) MERCK FROSST CANADA LTD. (CA) 2002-05-02 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 (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-20020052346-A1 Phosphonic acid biaryl derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) PTPRO, PPM1B, PTPA ADAMTS4 3286/4885PTPN5 22/4885PTGS2 1964/4885

“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.