SCHEMBL7594079

SCHEMBL7594079

O=C(O)c1cccc(SCc2ccc(CP(=O)(OF)OF)c(Br)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.42
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AR P10275 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
RAB9A P51151 2/20 0.35
SIRT2 Q8IXJ6 3/20 0.35
ACMSD Q8TDX5 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL7592260 0.88 APEX1 (0.39) APEX1HPGDCYP1A2CYP2C9HSD17B10
SCHEMBL7181899 0.87 APEX1 (0.39) APEX1HPGDCYP1A2CYP2C9HSD17B10
SCHEMBL7594076 0.75 PTPN1 (0.55) APEX1HTTMAPTHPGDCYP1A2
SCHEMBL7595381 0.75 EPHX1 (0.41) HPGDCYP1A2CYP2C9HSD17B10ALDH1A1
SCHEMBL7185585 0.75 PTPN1 (0.30)
SCHEMBL7665321 0.75 PTPN1 (0.34)
SCHEMBL7189715 0.74 PTPN1 (0.34)
SCHEMBL12581571 0.73 APEX1 (0.65) APEX1HTTMAPTHPGDCYP1A2
SCHEMBL18304405 0.71 APEX1 (0.51) APEX1HPGDCYP1A2CYP2C9HSD17B10
SCHEMBL7617987 0.71 PTPN1 (0.61) HTTHSD17B10SMN1; SMN2ALDH1A1RAB9A

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 3 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 claimed
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 APEX1 2270/4885HTT 1549/4885MAPT 4057/4885

“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.