SCHEMBL7526327

SCHEMBL7526327

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 8/20 0.36
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.34
GGPS1 O95749 1/20 0.33
SLC13A5 Q86YT5 1/20 0.33
GRIK1 P39086 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
FBP1 P09467 1/20 0.32

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
SCHEMBL7528685 0.89 ADAMTS4 (0.37) PTPN5PTGS2MAPTGGPS1GRIK1
SCHEMBL916036 0.78 HPGD (0.38) MMP1MMP2MMP3MMP7MMP9
SCHEMBL5256681 0.75 ALDH1A1 (0.39) MAPTMMP2
SCHEMBL8922173 0.75 ALDH1A1 (0.38) FBP1
SCHEMBL7526320 0.74 NPSR1 (0.41) SLC13A5TAAR1
SCHEMBL778445 0.74 ALDH1A1 (0.47)
SCHEMBL917313 0.71 NPSR1 (0.46) MMP2
SCHEMBL8499678 0.70 ALOX5 (0.43)
SCHEMBL7587096 0.69 MAPT (0.40) PTPN5PTGS2MAPTGGPS1MMP8
SCHEMBL914853 0.68 HTT (0.39) MAPTMMP2MMP9MMP8MMP14

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-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
EP-1244677-A1 PHOSPHONIC ACID BIARYL DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA INC. (CA) 2002-10-02 EP 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
WO-2001046203-A1 PHOSPHONIC ACID BIARYL DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA & CO. (CA) 2001-06-28 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-20020052346-A1 Phosphonic acid biaryl derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) PTPRO, PPM1B, PTPA PTPN5 22/4885PTGS2 1964/4885MAPT 3497/4885

“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.