SCHEMBL7596322

SCHEMBL7596322

O=P(O)(Oc1ccc(CSCc2cc(F)cc(F)c2)cc1Br)C(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.35
NR3C1 P04150 6/20 0.33
EPAS1 Q99814 2/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7193736 0.92 PTPN1 (0.38) PTPN1EPAS1ALDH1A1MAPTCYP1A2
SCHEMBL7189868 0.91 ALDH1A1 (0.41) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7193735 0.89 PTPN1 (0.35) PTPN1
SCHEMBL7183011 0.87 PTPN1 (0.38) PTPN1ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL7599756 0.86 PTPN1 (0.39) PTPN1ALDH1A1MAPTCYP2C19SMN1; SMN2
SCHEMBL7598764 0.86 PTPN1 (0.37) PTPN1
SCHEMBL7595556 0.86 TP53 (0.37) PTPN1ALDH1A1MAPTMEN1HPGD
SCHEMBL7187521 0.85 PKM (0.33) PTPN1NR3C1ALDH1A1MAPTCYP1A2
SCHEMBL7188319 0.85 PTPN1 (0.33) PTPN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7592992 0.85 LMNA (0.38) PTPN1EPAS1ALDH1A1MAPTCYP1A2

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 PTPN1 13/4885NR3C1 1535/4885EPAS1 1029/4885

“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.