SCHEMBL4641997

SCHEMBL4641997

CCCCOc1cc(OC(=O)OC(C)(C)C)ccc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
XBP1 P17861 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
REN P00797 1/20 0.39
CA2 P00918 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36

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
SCHEMBL4640469 0.88 ELANE (0.44) ELANEL3MBTL1GAACA2KDM4E
SCHEMBL4640581 0.81 MRGPRX4 (0.50) ELANEKDM4EMEN1KMT2A
SCHEMBL4641455 0.81 ELANE (0.43) ELANEATMCA2KDM1A
SCHEMBL13337966 0.81 ELANE (0.40) ELANECA2ALDH1A1MEN1KMT2A
SCHEMBL4644874 0.80 HTT (0.39) ELANEL3MBTL1GAAKDM4EALDH1A1
SCHEMBL4640556 0.78 TSHR (0.56) L3MBTL1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL14850360 0.77 AHR (0.43) L3MBTL1GAAATMCA2KDM4E
SCHEMBL4641620 0.76 ELANE (0.54) ELANEL3MBTL1GAAXBP1ATM
SCHEMBL14502020 0.75 PPARA (0.51) L3MBTL1GAANPSR1KDM4EALDH1A1
SCHEMBL4640550 0.74 LTA4H (0.46) L3MBTL1GAATHRATHRBREN

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 6 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-B1 SUBSTITUTED N-SULFONYLAMINOBENZYL-2-PHENOXY ACETAMIDE COMPOUNDS PFIZER (US) 2008-08-13 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
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 ELANE 2953/4885L3MBTL1 1969/4885GAA 3884/4885

“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.