SCHEMBL7595331

SCHEMBL7595331

COP(=O)(OC)c1ccccc1-c1ccc(-c2ccc(CBr)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.35
▸ KDM4E B2RXH2 6/20 0.35
▸ HPGD P15428 5/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ GAA P10253 4/20 0.34
▸ GLA P06280 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ PDGFRB P09619 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ GRM2 Q14416 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
SCHEMBL10723802 0.80 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL7527444 0.75 HPGD (0.39) ALDH1A1KDM4EHPGDTSHRGAA
SCHEMBL7184261 0.73 CYP1A1 (0.37) ALDH1A1KDM4EHPGDTRPA1GAA
SCHEMBL7184264 0.73 CYP1A1 (0.37) ALDH1A1KDM4EHPGDTRPA1GAA
SCHEMBL10892045 0.72 ALDH1A1 (0.57) ALDH1A1HPGDTRPA1TSHRGAA
SCHEMBL4966768 0.70 NAAA (0.49) GRM2
SCHEMBL4292841 0.70 CA2 (0.38) ALDH1A1KDM4EHPGDL3MBTL1HTT
SCHEMBL7181981 0.70 CFD (0.44) ALDH1A1KDM4ETSHRGAAMEN1
SCHEMBL7187999 0.70 PTPN11 (0.44) ALDH1A1KDM4EGLAMAPTMEN1
SCHEMBL7189507 0.69 PDE4A (0.33) HPGDGAASMN1; SMN2

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-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 — — US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 — — 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-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO ALDH1A1 312/4885KDM4E 2275/4885HPGD 3572/4885

“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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