SCHEMBL4642604

SCHEMBL4642604

CC(C)(C)c1ccc(OCC(=O)O)c(C=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.65
PTGDR2 Q9Y5Y4 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 1/20 0.47
ELANE P08246 1/20 0.46
CD69 Q07108 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FFAR1 O14842 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43

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
SCHEMBL4380943 0.88 CYP2C19 (0.61) CYP2C19PTGDR2SMN1; SMN2MAPTALDH1A1
SCHEMBL8422162 0.87 CYP2C19 (0.63) CYP2C19PTGDR2SMN1; SMN2MAPTALDH1A1
SCHEMBL14501995 0.85 ALDH1A1 (0.48) CYP2C19PTGDR2SMN1; SMN2MAPTALDH1A1
SCHEMBL13757719 0.83 CYP2C19 (0.74) CYP2C19PTGDR2SMN1; SMN2ALDH1A1MEN1
SCHEMBL17896571 0.81 CYP2C19 (0.72) CYP2C19PTGDR2SMN1; SMN2KDM4EKMT2A
SCHEMBL5284414 0.80 PTGDR2 (0.70) CYP2C19PTGDR2SMN1; SMN2ALDH1A1MEN1
SCHEMBL1714794 0.80 PTGDR2 (0.68) PTGDR2SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL5321878 0.79 CYP2C19 (0.68) CYP2C19PTGDR2SMN1; SMN2ELANECD69
SCHEMBL4909292 0.79 CYP2C19 (0.68) CYP2C19PTGDR2SMN1; SMN2MAPTALDH1A1
SCHEMBL14076372 0.79 CYP2C19 (0.68) CYP2C19PTGDR2SMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824837-B1 SUBSTITUTED N-SULFONYLAMINOBENZYL-2-PHENOXY ACETAMIDE COMPOUNDS PFIZER (US) 2008-08-13 EP disclosed
EP-1824837-A1 SUBSTITUTED N-SULFONYLAMINOBENZYL-2-PHENOXY ACETAMIDE COMPOUNDS Pfizer, Inc. (US) 2007-08-29 EP disclosed
US-7214824-B2 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists PFIZER INC. (US) 2007-05-08 US disclosed
WO-2006051378-A1 SUBSTITUTED N-SULFONYLAMINOBENZYL-2-PHENOXY ACETAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2006-05-18 WO disclosed
US-20060100460-A1 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists PFIZER, INC. 2006-05-11 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-20060100460-A1 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists CNR1, AVPR1A, OPRL1 CYP2C19 1945/4885PTGDR2 406/4885SMN1; SMN2 1424/4885

“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.