SCHEMBL7527444

SCHEMBL7527444

COc1ccc(-c2ccc(CBr)cc2)cc1P(=O)(OC)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ CYP17A1 P05093 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ SMPD1 P17405 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ FYN P06241 1/20 0.33
▸ ERN1 O75460 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL7181981 0.85 CFD (0.44) SMN1; SMN2GAANR1H4KDM4EALDH1A1
SCHEMBL7187999 0.85 PTPN11 (0.44) SMN1; SMN2KDM4EALDH1A1MAPTKMT2A
SCHEMBL7189507 0.84 PDE4A (0.33) HPGDSMN1; SMN2GAA
SCHEMBL7186778 0.82 GAK (0.36) SMN1; SMN2KDM4EALDH1A1PTPN1PTPN6
SCHEMBL7527196 0.81 ALDH1A1 (0.43) HPGDSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL7527451 0.80 ALDH1A1 (0.39) SMN1; SMN2CYP17A1NR1H4ALDH1A1LMNA
SCHEMBL7187728 0.79 GRM2 (0.33) CYP3A4HSD17B10
SCHEMBL7187733 0.78 PPARG (0.40) HPGD
SCHEMBL7184261 0.75 CYP1A1 (0.37) HPGDGAAKDM4EALDH1A1MAPT
SCHEMBL7184264 0.75 CYP1A1 (0.37) HPGDGAAKDM4EALDH1A1MAPT

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 HPGD 2990/4885SMN1; SMN2 4463/4885GAA 163/4885

“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.

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