SCHEMBL3137629

SCHEMBL3137629

CCOC(=O)C(C(=O)O)c1cc(Br)c(Oc2ccc3nn(-c4ccccc4)cc3c2)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
GCG P01275 4/20 0.38
GCGR P47871 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP8 P22894 1/20 0.35
MIF P14174 1/20 0.35
DGAT1 O75907 2/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3137618 0.89 ESR2 (0.43) ESR2GCGGCGRTHRATHRB
SCHEMBL3131338 0.81 ADORA2A (0.41) ESR2NPC1RAB9AGCGMIF
SCHEMBL3142310 0.79 THRB (0.53) ESR2MIFTHRATHRB
SCHEMBL3129968 0.77 ESR2 (0.43) ESR2MIFTHRATHRBADORA3
SCHEMBL3131371 0.76 ESR2 (0.44) ESR2GCGMIFTHRATHRB
SCHEMBL3133562 0.76 ESR2 (0.49) ESR2NPC1RAB9AKDM4EMIF
SCHEMBL3136298 0.76 THRA (0.51) ESR2MIFTHRATHRBADORA3
SCHEMBL3133547 0.75 THRA (0.44) ESR2THRATHRBADORA3
SCHEMBL5072179 0.74 ESR2 (0.49) ESR2NPC1RAB9AKDM4EMIF
SCHEMBL3146020 0.74 MAPT (0.54) ESR2NPC1RAB9ANPSR1MEN1

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
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 US disclosed
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR ESR2 270/4885NPC1 2737/4885RAB9A 3355/4885

“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.