SCHEMBL1549954

SCHEMBL1549954

CCOC(=O)C(C)(C)Oc1cccc(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.60
PPARG P37231 2/20 0.60
FBP1 P09467 6/20 0.56
ABCB11 O95342 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
HTR2A P28223 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
RAB9A P51151 1/20 0.51
NR4A2 P43354 2/20 0.48
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
AKR1C3 P42330 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
TP53 P04637 1/20 0.45

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
SCHEMBL1549821 0.85 PPARA (0.56) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL3484204 0.84 PPARG (0.55) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL20730087 0.84 PPARA (0.64) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL197882 0.84 PPARA (0.64) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL2824491 0.83 PPARA (0.71) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL12670824 0.82 PPARA (0.62) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL2436622 0.82 AKR1C3 (0.50) PPARAPPARGKMT2ANPC1POLB
SCHEMBL10546913 0.82 CYSLTR1 (0.59) PPARAPPARG
SCHEMBL14254637 0.82 PPARA (0.69) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL12327872 0.82 AKR1C3 (0.56) PPARAPPARGCYP1A2CYP3A4KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314576-A1 Phenyl derivatives as PPAR agonists F.HOFFMANN-LA ROCHE AG (CH) 2011-04-27 EP disclosed
US-7772253-B2 Amide derivatives as somatostatin receptor 5 antagonists HOFFMAN-LA ROCHE INC. (US) 2010-08-10 US disclosed
EP-1893603-B1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-10-14 EP disclosed
EP-1893603-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2008-03-05 EP disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 WO disclosed
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 US disclosed
US-7115611-B2 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
EP-1682508-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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 (2 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-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG PPARA 2/4885PPARG 3/4885FBP1 1895/4885
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists SSTR5, SSTR3, SSTR1 PPARA 1200/4885PPARG 1084/4885FBP1 1349/4885

“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.