SCHEMBL4029401

SCHEMBL4029401

CCOC(=O)C(C)(C)Oc1cccc(-c2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.55
PPARA Q07869 3/20 0.53
PPARG P37231 1/20 0.53
FBP1 P09467 6/20 0.50
ABCB11 O95342 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
HTR2A P28223 1/20 0.48
PMP22 Q01453 1/20 0.48
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
CYP19A1 P11511 2/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
KMO O15229 1/20 0.44
S1PR1 P21453 1/20 0.42

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
SCHEMBL4028110 0.86 CYP11B2 (0.51) CYP1A2CYP3A4MKNK1MKNK2CYP19A1
SCHEMBL1969926 0.86 PPARA (0.56) GRM2PPARAPPARGFBP1ABCB11
SCHEMBL3484032 0.82 PPARA (0.57) GRM2PPARAPPARGFBP1ABCB11
SCHEMBL27564026 0.79 MMP2 (0.48) MMP2MMP13MMP14MKNK1MKNK2
SCHEMBL418047 0.78 PPARA (0.53) GRM2PPARAPPARGFBP1ABCB11
SCHEMBL3484509 0.78 PPARA (0.56) GRM2PPARAPPARGFBP1ABCB11
SCHEMBL20730087 0.77 PPARA (0.64) GRM2PPARAPPARGFBP1ABCB11
SCHEMBL197882 0.77 PPARA (0.64) GRM2PPARAPPARGFBP1ABCB11
SCHEMBL23582194 0.76 PPARA (0.51) GRM2PPARAPPARGFBP1ABCB11
SCHEMBL31357627 0.76 PPARA (0.51) GRM2PPARAPPARGFBP1ABCB11

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-1567493-B1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PROD INC (US) 2009-03-18 EP disclosed
US-20070191429-A1 PPAR ACTIVATORS PFIZER INC. (US) 2007-08-16 US disclosed
US-7199243-B2 Piperidine compounds useful as PPAR activators PFIZER INC. (US) 2007-04-03 US disclosed
EP-1567493-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS Pfizer Products Inc. (US) 2005-08-31 EP disclosed
US-20040157885-A1 PPAR activators PFIZER INC 2004-08-12 US disclosed
WO-2004048334-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-06-10 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 (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-20070191429-A1 PPAR ACTIVATORS PPARA, PPARG, PPARD GRM2 1015/4885PPARA 1/4885PPARG 2/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD GRM2 1015/4885PPARA 1/4885PPARG 2/4885

“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.