SCHEMBL5509847

SCHEMBL5509847

CCOP(=O)(OCC)C(F)(F)c1ccc(CN(c2ccc(Cl)c(Cl)c2)c2nnc(-c3cccc(Oc4cccc(C(=O)OC)c4)c3)o2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.38
THRB P10828 1/20 0.37
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 2/20 0.37
VDR P11473 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.34
RAF1 P04049 1/20 0.34
ALOX15 P16050 2/20 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
SCHEMBL5508244 0.92 PTPN5 (0.42) CETPTHRBNR1H2NR1H3VDR
SCHEMBL5505414 0.89 PTPN5 (0.40) CETPTHRBNR1H2NR1H3VDR
SCHEMBL5508241 0.84 NR1H2 (0.39) CETPNR1H2NR1H3VDRALDH1A1
SCHEMBL5508633 0.83 PTPN5 (0.43) THRB
SCHEMBL5501676 0.83 NR1H2 (0.38) CETPTHRBNR1H2NR1H3VDR
SCHEMBL5505410 0.82 KMO (0.39) CETPNR1H2NR1H3VDRALDH1A1
SCHEMBL5507376 0.81 NR1H2 (0.38) CETPTHRBNR1H2NR1H3VDR
SCHEMBL4955416 0.79 CETP (0.38) CETPNR1H2NR1H3ALDH1A1MEN1
SCHEMBL5501679 0.79 NR1H2 (0.36) CETPNR1H2NR1H3VDRALDH1A1
SCHEMBL5987596 0.79 KMO (0.50) VDRALDH1A1MEN1KMT2ANPSR1

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 CETP 4283/4885THRB 1360/4885NR1H2 4242/4885

“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.