Veratric Acid Methyl Ester

Veratric Acid Methyl Ester

SCHEMBL3661352

[2H]C([2H])([2H])Oc1ccc(C(=O)OC)cc1OC

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.73
KMT2A Q03164 5/20 0.60
TSHR P16473 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA7 P43166 1/20 0.58
TPMT P51580 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
MEN1 O00255 2/20 0.56
LMNA P02545 1/20 0.56
ATM Q13315 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
Veratric Acid Methyl Ester SCHEMBL2371276 0.98 MAPT (0.70) MAPTKMT2ATSHRCYP2C9CYP1A2
Veratric Acid Methyl Ester SCHEMBL2050732 0.91 MAPT (0.86) MAPTKMT2ATSHRCYP2C9CYP1A2
Veratric Acid Methyl Ester SCHEMBL29573244 0.91 MAPT (0.86) MAPTKMT2ATSHRCYP2C9CYP1A2
SCHEMBL12604683 0.85 NOTUM (0.56) MAPTKMT2ATSHRCYP2C9CA12
Veratric Acid Methyl Ester SCHEMBL22717084 0.84 MAPT (0.75) MAPTKMT2ATSHRCYP2C9CYP1A2
SCHEMBL31156002 0.83 MAPT (0.51) MAPTKMT2ACA12CA1CA2
SCHEMBL31265461 0.83 MAPT (0.54) MAPTKMT2ATSHRCA12CA1
SCHEMBL23480903 0.81 MAPT (0.70) MAPTKMT2ATSHRCYP2C9CYP1A2
SCHEMBL4529606 0.81 CYP1A2 (0.79) MAPTKMT2ATSHRCYP2C9CYP1A2
SCHEMBL12554591 0.81 MAPT (0.70) MAPTKMT2ATSHRCYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133137-B2 Derivatives of gefitinib CONCERT PHARMACEUTICALS, INC. (US) 2015-09-15 US disclosed
EP-2242493-B1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC (US) 2013-06-05 EP disclosed
US-20110059046-A1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC. (US) 2011-03-10 US disclosed
US-7855204-B2 Derivatives of gefitinib CONCERT PHARMACEUTICALS INC. (US) 2010-12-21 US disclosed
US-7855204-B2 Derivatives of gefitinib CONCERT PHARMACEUTICALS INC. (US) 2010-12-21 US disclosed
EP-2242493-A1 DERIVATIVES OF GEFITINIB Concert Pharmaceuticals Inc. (US) 2010-10-27 EP disclosed
WO-2009094216-A1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC. (US) 2009-07-30 WO disclosed
US-20090185999-A1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC. (US) 2009-07-23 US disclosed
US-20090185999-A1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC. (US) 2009-07-23 US 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 (2 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-20090185999-A1 DERIVATIVES OF GEFITINIB ABL1, EGFR, ERBB2 MAPT 4547/4885KMT2A 2604/4885TSHR 1339/4885
US-20110059046-A1 DERIVATIVES OF GEFITINIB ABL1, EGFR, ERBB2 MAPT 4547/4885KMT2A 2604/4885TSHR 1339/4885

“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.