SCHEMBL7181899

SCHEMBL7181899

O=C(O)c1cccc(SCCCCc2ccc(CP(=O)(OF)OF)c(Br)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.39
PLA2G2A P14555 1/20 0.37
PLA2G4B P0C869 2/20 0.36
PLA2G4A P47712 1/20 0.36
LTB4R Q15722 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
HDAC1 Q13547 1/20 0.33
FOLH1 Q04609 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MCL1 Q07820 1/20 0.32
BCL2A1 Q16548 1/20 0.32
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32

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 0.97 APEX1 (0.39) APEX1PLA2G2APLA2G4BPLA2G4ALTB4R
SCHEMBL7594079 0.87 APEX1 (0.42) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL7181894 0.78 PTPN1 (0.51) APEX1PLA2G2APLA2G4BPLA2G4AHDAC1
SCHEMBL7592257 0.74 PTPN1 (0.52) APEX1HDAC1
SCHEMBL6477384 0.70 APEX1 (0.58) APEX1PLA2G2APLA2G4BPLA2G4ACYP1A2
SCHEMBL7600996 0.68 PTPN1 (0.43) HDAC1
SCHEMBL28104567 0.68 PLA2G2A (0.51) APEX1PLA2G2APLA2G4BPLA2G4ACYP1A2
SCHEMBL7617987 0.68 PTPN1 (0.61) HSD17B10PPARG
SCHEMBL4903501 0.68 ALDH1A1 (0.43) APEX1HSD17B10NR1H4KMT2AMEN1
SCHEMBL7595381 0.67 EPHX1 (0.41) CYP1A2CYP2C9HPGDHSD17B10POLB

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 5 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
EP-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 EP disclosed
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
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 WO 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 2270/4885PLA2G2A 951/4885PLA2G4B 323/4885

“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.