SCHEMBL4641597

SCHEMBL4641597

CC(C)(C)c1ccc(OC(=O)Oc2ccc(C(C)(C)C)c(O)c2)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.48
ATM Q13315 2/20 0.48
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 5/20 0.45
ALOX15 P16050 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
ATP2A2 P16615 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATP2A3 Q93084 1/20 0.45
ESRRA P11474 1/20 0.44
GAA P10253 2/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
MIF P14174 1/20 0.42

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
SCHEMBL4641620 0.90 ELANE (0.54) NR1H4ATMMAPTPOLBALDH1A1
SCHEMBL4641599 0.87 NR1H4 (0.47) NR1H4ATMMAPTPOLBALDH1A1
SCHEMBL13595802 0.87 CYP3A4 (0.58) NR1H4ATMMAPTPOLBALDH1A1
SCHEMBL29043243 0.83 ACHE (0.48) NR1H4ATMMAPTPOLBALDH1A1
SCHEMBL11440351 0.79 ALDH1A1 (0.58) MAPTALDH1A1ALOX15KDM4ECYP1A2
SCHEMBL23159756 0.77 ALDH1A1 (0.48) NR1H4ATMMAPTPOLBALDH1A1
SCHEMBL12732749 0.76 HSP90AA1 (0.52) MAPTPOLBALDH1A1ALOX15KDM4E
SCHEMBL12733352 0.76 ESRRA (0.53) MAPTALDH1A1ALOX15KDM4ECYP1A2
SCHEMBL12732654 0.76 MEN1 (0.54) MAPTALDH1A1ALOX15KDM4ECYP1A2
SCHEMBL28145989 0.75 CA2 (0.61) MAPTPOLBALDH1A1ALOX15SMN1; SMN2

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 NR1H4 415/4885ATM 4721/4885MAPT 4719/4885

“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.