SCHEMBL7595381

SCHEMBL7595381

O=C(c1ccccc1)C(SCc1ccc(CP(=O)(OF)OF)c(Br)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.41
PTPN1 P18031 5/20 0.41
PTPN2 P17706 1/20 0.41
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ATM Q13315 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7617987 0.82 PTPN1 (0.61) EPHX1PTPN1PTPN2ALDH1A1HSD17B10
SCHEMBL7187422 0.82 ATM (0.33) EPHX1PTPN1PTPN2HPGDL3MBTL1
SCHEMBL7595377 0.77 PTPN1 (0.69) EPHX1PTPN1PTPN2
SCHEMBL7629991 0.69 PTPN1 (0.43) PTPN1PTPN2CYP1A2CYP3A4CYP2D6
SCHEMBL7193789 0.69 MCHR1 (0.32)
SCHEMBL7174193 0.69 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL7659257 0.68 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL7598588 0.68 PTPN1 (0.30) PTPN1
SCHEMBL7166520 0.67 PTPN1 (0.62) EPHX1PTPN1PTPN2ALDH1A1HSD17B10
SCHEMBL7592714 0.67 PTPN1 (0.33) PTPN1

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 EPHX1 685/4885PTPN1 13/4885PTPN2 24/4885

“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.