SCHEMBL7594149

SCHEMBL7594149

O=P(O)(Oc1ccc(CSC(Cc2ccc(F)cc2)c2ccc(F)cc2)cc1Br)C(F)F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
EPHX1 P07099 1/20 0.31
PKM P14618 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
SCHEMBL7597986 0.91 PTPN1 (0.35) PPARDEPHX1
SCHEMBL7193736 0.82 PTPN1 (0.38) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL7598595 0.81 EPHX1 (0.33) EPHX1
SCHEMBL7188479 0.80 MAOA (0.41) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL7592123 0.80 EPHX1 (0.36) ALDH1A1EPHX1
SCHEMBL7204587 0.79 PTPN1 (0.35) ALDH1A1MAPTEPHX1PKM
SCHEMBL7596322 0.79 PTPN1 (0.35) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL7594144 0.77 PTPN1 (0.50) EPHX1
SCHEMBL7592249 0.77 ALDH1A1 (0.35) ALDH1A1MAPTEPHX1PKM
SCHEMBL7187616 0.77 LMNA (0.33) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19

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 PPARD 557/4885ALDH1A1 312/4885CYP1A2 2543/4885

“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.