SCHEMBL10001159

SCHEMBL10001159

CC(C)(C)C(=O)c1nc[nH]c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 2/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GDA Q9Y2T3 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 4/20 0.36
TDP1 Q9NUW8 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL245 0.80 KDM4E (0.59) KDM4EHSD17B10CYP2C19MAPTLMNA
SCHEMBL28274899 0.78 KDM4E (0.58) KDM4EHSD17B10CYP2C19MAPTLMNA
SCHEMBL27977550 0.78 KDM4E (0.58) KDM4EHSD17B10CYP2C19MAPTLMNA
SCHEMBL28276330 0.78 KDM4E (0.58) KDM4EHSD17B10CYP2C19MAPTLMNA
SCHEMBL28435264 0.78 KDM4E (0.58) KDM4EHSD17B10CYP2C19MAPTLMNA
SCHEMBL28606591 0.78 KDM4E (0.58) KDM4EHSD17B10CYP2C19MAPTLMNA
SCHEMBL30442868 0.78 KDM4E (0.58) KDM4EHSD17B10CYP2C19MAPTLMNA
Water SCHEMBL28988433 0.76 KDM4E (0.56) KDM4EHSD17B10CYP2C19MAPTLMNA
SCHEMBL28274997 0.76 KDM4E (0.56) KDM4EHSD17B10CYP2C19MAPTLMNA
Butane SCHEMBL15522319 0.76 KDM4E (0.65) KDM4EHSD17B10CYP2C19MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 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 (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-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 KDM4E 3371/4885HSD17B10 347/4885CYP2C19 480/4885

“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.