SCHEMBL4640606

SCHEMBL4640606

COCCOc1cc(O)ccc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
LMNA P02545 5/20 0.43
HTT P42858 4/20 0.43
ALOX15 P16050 2/20 0.43
NR1I2 O75469 1/20 0.43
CYP2C9 P11712 1/20 0.43
MIF P14174 1/20 0.43
TYR P14679 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 9/20 0.41
MAPK1 P28482 3/20 0.40
GAA P10253 4/20 0.40
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL4640550 0.83 LTA4H (0.46) ALDH1A1LMNAHTTALOX15NR1I2
SCHEMBL20741377 0.81 MAPK1 (0.45) ALDH1A1LMNAHTTHSD17B10L3MBTL1
SCHEMBL11680067 0.81 ALDH1A1 (0.47) ALDH1A1LMNAHTTALOX15NR1I2
SCHEMBL9698493 0.81 NR5A1 (0.51) ALDH1A1HTTL3MBTL1KDM4E
SCHEMBL13624072 0.80 HTT (0.43) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL9978253 0.80 LMNA (0.47) ALDH1A1LMNAHTTALOX15HSD17B10
SCHEMBL1516118 0.78 MAOB (0.57) ALDH1A1LMNAHTTALOX15NR1I2
SCHEMBL25793439 0.78 HTT (0.41) ALDH1A1LMNAHTTHSD17B10L3MBTL1
SCHEMBL4644874 0.77 HTT (0.39) ALDH1A1LMNAHTTL3MBTL1KDM4E
SCHEMBL12203495 0.76 TRPV4 (0.43) ALDH1A1LMNAHTTL3MBTL1KDM4E

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 7 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
US-7214824-B2 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists PFIZER INC. (US) 2007-05-08 US 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 ALDH1A1 987/4885LMNA 2299/4885HTT 1890/4885

“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.