SCHEMBL6817241

SCHEMBL6817241

CCOC(=O)C(C#N)Cc1ccc(OCCc2ccc(NC(=O)C(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.43
ACACB O00763 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 2/20 0.40
PPARA Q07869 3/20 0.39
PPARG P37231 1/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
MAPK1 P28482 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL7251559 0.89 MEN1 (0.46) PSMB5ACACBMEN1KMT2AEPHX2
SCHEMBL5991661 0.83 PPARA (0.53) PSMB5ACACBMEN1KMT2APPARA
SCHEMBL5991668 0.83 PPARA (0.53) PSMB5ACACBMEN1KMT2APPARA
SCHEMBL6818357 0.82 MEN1 (0.43) PSMB5ACACBMEN1KMT2AEPHX2
SCHEMBL5992779 0.80 PPARA (0.62) ACACBMEN1KMT2APPARAPPARG
SCHEMBL4755505 0.80 MEN1 (0.45) ACACBMEN1KMT2APPARAPPARG
SCHEMBL947174 0.78 FFAR1 (0.55) PPARAPPARG
SCHEMBL6817504 0.78 PPARG (0.44) ACACBPPARAPPARGMAPT
SCHEMBL5992822 0.78 PPARA (0.65) PPARAPPARG
SCHEMBL5992744 0.78 PPARA (0.65) PPARAPPARG

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-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
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 PSMB5 1586/4885ACACB 90/4885MEN1 3936/4885

“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.