SCHEMBL5505841

SCHEMBL5505841

CCOP(=O)(OCC)C(F)(F)c1ccc(CN(c2ccc(Cl)c(Cl)c2)c2ncc(-c3ccc(-c4ccccc4C(=O)OC)cc3)o2)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.35
BDKRB1 P46663 5/20 0.34
BRS3 P32247 2/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A4 P31645 2/20 0.33
FAAH O00519 1/20 0.32
PDK2 Q15119 1/20 0.32
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
ACHE P22303 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
SCHEMBL5500754 0.92 PTPN1 (0.37) LTB4R2BDKRB1BRS3SLC6A3SLC6A4
SCHEMBL5499130 0.89 VDR (0.33) ALDH1A1HPGD
SCHEMBL5500080 0.89 PTPN1 (0.32) PTPN2PTPN1
SCHEMBL5500308 0.88 FAAH (0.33) FAAHPTPN2PTPN1
SCHEMBL5503152 0.87 PTPN1 (0.35) BDKRB1BRS3FAAHPDK2ALDH1A1
SCHEMBL5521865 0.87 PTPN1 (0.35) LTB4R2BDKRB1BRS3SLC6A3SLC6A4
SCHEMBL5503199 0.84 PTPN1 (0.34) PTPN2PTPN1
SCHEMBL5503912 0.84 PTPN1 (0.38) LTB4R2BRS3RAB9APTPN2PTPN1
SCHEMBL5500755 0.83 SLC6A3 (0.34) LTB4R2BDKRB1BRS3SLC6A3SLC6A4
SCHEMBL5500052 0.83 PTPN1 (0.37) FAAHKDM4EPTPN2PTPN1

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
EP-1786421-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-05-23 EP disclosed
US-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US disclosed
WO-2006017124-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-02-16 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-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases PTPRO, PTPRG, PTPN1 LTB4R2 2923/4885BDKRB1 3825/4885BRS3 3584/4885

“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.