SCHEMBL5501679

SCHEMBL5501679

COC(=O)c1cccc(Oc2cccc(-c3nnc(N(Cc4ccc(CP(=O)(OF)OF)c(Br)c4)c4ccc(Cl)c(Cl)c4)o3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.36
NR1H3 Q13133 3/20 0.36
VDR P11473 1/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
CETP P11597 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GSK3B P49841 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 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
SCHEMBL5507373 0.97 KMO (0.35) NR1H2NR1H3VDRKDM4EPOLB
SCHEMBL5505312 0.92 KMO (0.39) VDRHPGDSMN1; SMN2NPC1ALDH1A1
SCHEMBL5508241 0.91 NR1H2 (0.39) NR1H2NR1H3VDRKDM4EPOLB
SCHEMBL5505410 0.88 KMO (0.39) NR1H2NR1H3VDRKDM4EPOLB
SCHEMBL4957665 0.87 HSD17B10 (0.35) NR1H2NR1H3KDM4EPOLBHPGD
SCHEMBL5501676 0.85 NR1H2 (0.38) NR1H2NR1H3VDRKDM4EPOLB
SCHEMBL5507376 0.83 NR1H2 (0.38) NR1H2NR1H3VDRKDM4EHPGD
SCHEMBL5508632 0.83 KMO (0.43) VDRKDM4EPOLBHPGDSMN1; SMN2
SCHEMBL5508244 0.81 PTPN5 (0.42) NR1H2NR1H3VDRKDM4EPOLB
SCHEMBL4959737 0.81 HSD17B10 (0.36) NR1H2NR1H3KDM4EPOLBHPGD

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 4466/4885VDR 4770/4885

“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.