SCHEMBL7596785

SCHEMBL7596785

CCOP(=O)(OCC)C(F)(F)c1ccc(CSCc2ccc(-c3ccc(C=Cc4ccccc4)c(P(=O)(OC)OC)c3)cc2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 9/20 0.43
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GLA P06280 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PTPN2 P17706 1/20 0.30
▸ UTRN P46939 1/20 0.30

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
SCHEMBL7596781 1.00 PTPN1 (0.43) PTPN1KDM4EMEN1ALDH1A1GLA
SCHEMBL7596789 0.91 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL7596371 0.83 PTPN1 (0.53) PTPN1KDM4EALDH1A1GAAHPGD
SCHEMBL7592832 0.82 PTPN1 (0.44) PTPN1MAPT
SCHEMBL7663960 0.81 PTPN1 (0.43) PTPN1
SCHEMBL7595309 0.80 PTPN1 (0.58) PTPN1PTPN2
SCHEMBL7595303 0.80 PTPN1 (0.58) PTPN1PTPN2
SCHEMBL7593786 0.78 PTPN1 (0.40) PTPN1
SCHEMBL7187448 0.76 PTPN1 (0.47) PTPN1MEN1GAAKMT2ANPSR1
SCHEMBL7187500 0.76 PTPN1 (0.45) PTPN1ALDH1A1MAPTHTTNPSR1

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 PTPN1 13/4885KDM4E 2275/4885MEN1 4448/4885

“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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