SCHEMBL5501676

SCHEMBL5501676

COC(=O)c1cccc(Oc2cccc(-c3nnc(N(Cc4ccc(C(F)(F)P(=O)(O)O)c(Br)c4)c4ccc(Cl)c(Cl)c4)o3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 2/20 0.38
CETP P11597 1/20 0.38
PTPN1 P18031 5/20 0.36
PTPN2 P17706 3/20 0.36
KDM4E B2RXH2 2/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
VDR P11473 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
CCR6 P51684 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5507376 0.97 NR1H2 (0.38) NR1H2NR1H3CETPPTPN1PTPN2
SCHEMBL5505306 0.92 PTPN1 (0.39) NR1H2NR1H3PTPN1PTPN2HPGD
SCHEMBL5508244 0.89 PTPN5 (0.42) NR1H2NR1H3CETPPTPN1PTPN2
SCHEMBL4957662 0.87 NR1H2 (0.37) NR1H2NR1H3CETPPTPN1PTPN2
SCHEMBL5505414 0.87 PTPN5 (0.40) NR1H2NR1H3CETPPTPN1PTPN2
SCHEMBL5501679 0.85 NR1H2 (0.36) NR1H2NR1H3CETPKDM4EHPGD
SCHEMBL5509847 0.83 CETP (0.38) NR1H2NR1H3CETPKDM4ETHRB
SCHEMBL5507373 0.83 KMO (0.35) NR1H2NR1H3CETPKDM4EHPGD
SCHEMBL5508241 0.82 NR1H2 (0.39) NR1H2NR1H3CETPKDM4EHPGD
SCHEMBL5508633 0.81 PTPN5 (0.43) PTPN1PTPN2THRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US 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 NR1H2 4242/4885NR1H3 4466/4885CETP 4283/4885

“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.