SCHEMBL7592249

SCHEMBL7592249

CC(SCc1ccc(OP(=O)(O)C(F)F)c(Br)c1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
EPHX1 P07099 5/20 0.34
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
PDPK1 O15530 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
OPRK1 P41145 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
SCHEMBL7204587 0.89 PTPN1 (0.35) ALDH1A1GAAPKMPTPN2PTPN1
SCHEMBL7597986 0.85 PTPN1 (0.35) PTPN2PTPN1EPHX1
SCHEMBL7599756 0.82 PTPN1 (0.39) ALDH1A1PTPN2PTPN1L3MBTL1MAPT
SCHEMBL7599328 0.82 PPARG (0.34) ALDH1A1GAAPKMKMT2AL3MBTL1
SCHEMBL7592123 0.80 EPHX1 (0.36) ALDH1A1EPHX1KDM4ETDP1LMNA
SCHEMBL7187616 0.80 LMNA (0.33) ALDH1A1KMT2AL3MBTL1KDM4ETDP1
SCHEMBL7598595 0.80 EPHX1 (0.33) EPHX1
SCHEMBL7594345 0.80 PTPN1 (0.44) PTPN2PTPN1
SCHEMBL5399820 0.80 ALDH1A1 (0.35) ALDH1A1GAAPKMPTPN2PTPN1
SCHEMBL7592977 0.79 HTR2A (0.33) ALDH1A1KMT2A

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 ALDH1A1 312/4885GAA 252/4885PKM 2221/4885

“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.