SCHEMBL5499142

SCHEMBL5499142

COC(=O)c1ccc(-c2cnc(N(Cc3ccc(C(F)(F)P(=O)(O)O)c(Br)c3)c3ccccc3)o2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.41
PTPN2 P17706 5/20 0.41
FAAH O00519 1/20 0.41
NOTUM Q6P988 1/20 0.37
HDAC6 Q9UBN7 2/20 0.35
NR1H2 P55055 1/20 0.35
PTPRC P08575 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL5499270 0.91 PTPN1 (0.44) PTPN1PTPN2FAAHHDAC6PTPRC
SCHEMBL5500052 0.90 PTPN1 (0.37) PTPN1PTPN2FAAHNOTUM
SCHEMBL5502721 0.87 PTPN1 (0.38) PTPN1PTPN2FAAHNOTUMNR1H2
SCHEMBL5988326 0.85 PTPN1 (0.40) PTPN1PTPN2
SCHEMBL5988122 0.83 PTPN1 (0.39) PTPN1PTPN2HDAC6PTPRC
SCHEMBL5499145 0.83 FAAH (0.40) FAAHHDAC6NR1H2HDAC1HDAC8
SCHEMBL5507775 0.83 PTPN1 (0.38) PTPN1PTPN2FAAHHDAC6PTPRC
SCHEMBL5500754 0.83 PTPN1 (0.37) PTPN1PTPN2FAAH
SCHEMBL5521865 0.82 PTPN1 (0.35) PTPN1PTPN2FAAH
SCHEMBL5499814 0.82 PTPN1 (0.39) PTPN1PTPN2FAAHPTPRC

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 6 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 claimed
US-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US claimed
WO-2006017124-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-02-16 WO claimed
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 PTPN1 3/4885PTPN2 24/4885FAAH 2839/4885

“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.