SCHEMBL6817962

SCHEMBL6817962

COCc1ccc(CCOc2ccc(C[C@H](NC(=O)C(C)C)C(=O)OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 3/20 0.52
ERAP2 Q6P179 3/20 0.52
ERAP1 Q9NZ08 3/20 0.52
TSHR P16473 1/20 0.49
PPARG P37231 1/20 0.47
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
MME P08473 2/20 0.44
ACE P12821 2/20 0.44
CPA1 P15085 2/20 0.44
ACE2 Q9BYF1 2/20 0.44
ACACB O00763 4/20 0.44
YAP1 P46937 3/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 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
SCHEMBL6817956 1.00 IL1RN (0.52) IL1RNERAP2ERAP1TSHRPPARG
SCHEMBL6817238 0.91 ACE (0.54) PPARGMMEACECPA1ACE2
SCHEMBL6817237 0.91 ACE (0.54) PPARGMMEACECPA1ACE2
SCHEMBL6818126 0.90 GAA (0.57) IL1RNERAP2ERAP1TSHRALDH1A1
SCHEMBL6818123 0.90 GAA (0.57) IL1RNERAP2ERAP1TSHRALDH1A1
SCHEMBL6818133 0.84 CYP3A4 (0.44) PPARGACACBLMNA
SCHEMBL5392194 0.80 ITGB3 (0.64) PPARGALDH1A1GAARAB9A
SCHEMBL5392187 0.80 ITGB3 (0.64) PPARGALDH1A1GAARAB9A
SCHEMBL6813705 0.79 ACACB (0.57) PPARGMMEACECPA1ACE2
SCHEMBL6813707 0.79 ACACB (0.57) PPARGMMEACECPA1ACE2

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
CN-1211359-C Novel phenylalkoxy-phenyl derivatives ASTRAZENECA AB (SE) 2005-07-20 CN disclosed
EP-1237857-B1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2004-06-30 EP disclosed
US-6630509-B2 Pharmaceutical medication associated with insulin resistance; patient with prophylaxis conditions having reduced sensitivity to insulin ASTRAZENECA AB (SE) 2003-10-07 US disclosed
CN-1433401-A Novel phenylalkoxy-phenyl derivatives ASTRAZENECA AB (SE) 2003-07-30 CN disclosed
US-20030018207-A1 Phenalkyloxy-phenyl derivatives ASTRAZENECA AB (SE) 2003-01-23 US disclosed
EP-1237857-A1 NEW PHENALKYLOXY-PHENYL DERIVATIVES AstraZeneca AB (SE) 2002-09-11 EP disclosed
WO-2001040170-A1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2001-06-07 WO 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-20030018207-A1 Phenalkyloxy-phenyl derivatives GPR119, INSR, IAPP IL1RN 1522/4885ERAP2 1070/4885ERAP1 1410/4885

“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.