SCHEMBL6813546

SCHEMBL6813546

CCOC(=O)C(C#N)Cc1ccc(CCc2ccc(OS(C)(=O)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.50
PPARG P37231 8/20 0.50
CTSC P53634 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
STS P08842 1/20 0.36
ACACB O00763 2/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5992779 0.92 PPARA (0.62) PPARAPPARGCTSCL3MBTL1ACACB
SCHEMBL28874725 0.80 LDHA (0.51) PPARAPPARGSMN1; SMN2L3MBTL1ACACB
SCHEMBL5991846 0.79 PPARA (0.65) PPARAPPARGCTSCL3MBTL1ACACB
SCHEMBL27548183 0.79 SMN1; SMN2 (0.44) PPARAPPARGSMN1; SMN2L3MBTL1ACACB
SCHEMBL6818027 0.77 ESR1 (0.46) SMN1; SMN2L3MBTL1KMT2A
SCHEMBL4755505 0.77 MEN1 (0.45) PPARAPPARGSMN1; SMN2L3MBTL1ACACB
SCHEMBL947174 0.76 FFAR1 (0.55) PPARAPPARGSMN1; SMN2L3MBTL1
SCHEMBL11348091 0.76 EPHX2 (0.48) PPARAPPARGCTSCSMN1; SMN2L3MBTL1
SCHEMBL11351977 0.76 PPARG (0.48) PPARGSMN1; SMN2L3MBTL1KMT2A
SCHEMBL28305791 0.76 CYP2A6 (0.44) SMN1; SMN2L3MBTL1ACACBKMT2A

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 PPARA 74/4885PPARG 47/4885CTSC 200/4885

“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.