SCHEMBL3524643

SCHEMBL3524643

CNc1cccc(B(O)OC(C)(C)C(C)(C)O)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.32
TSHR P16473 1/20 0.31
ENPP2 Q13822 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL9893797 0.83 ALDH1A1 (0.35) NLRP3
SCHEMBL1015209 0.83 ALDH1A1 (0.45) TSHR
SCHEMBL9893667 0.82 POLB (0.45)
SCHEMBL3519257 0.81 TRPV1 (0.32) TSHRAPP
SCHEMBL9893568 0.80 HDAC3 (0.42) NLRP3
SCHEMBL16223353 0.80 ACHE (0.35) ENPP2
SCHEMBL517851 0.80 ENPP2 (0.48) TSHRENPP2
SCHEMBL16010449 0.78 MGLL (0.39) ENPP2
SCHEMBL4592239 0.78 PGR (0.35) TSHRENPP2
SCHEMBL3518819 0.78 CYP26B1 (0.46) ENPP2

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-20100305133-A1 Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-12-02 US disclosed
EP-2227770-A2 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-15 EP disclosed
WO-2009073497-A2 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 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-20100305133-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 NLRP3 3659/4885TSHR 2760/4885ENPP2 1126/4885

“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.