SCHEMBL5735241

SCHEMBL5735241

COC(=O)C(C)(C)Oc1cccc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
MGLL Q99685 4/20 0.42
MCHR1 Q99705 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RY2 P41231 1/20 0.39
GPR17 Q13304 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3371877 0.85 PPARA (0.50) P4HBPDK1PDK2PDK3PDK4
SCHEMBL1549698 0.85 PPARA (0.57) MGLLMCHR1CNR2PPARGPPARA
SCHEMBL12670838 0.83 PDK1 (0.44) P4HBPDK1PDK2PDK3PDK4
SCHEMBL14468109 0.81 PPARA (0.50) MGLLPPARAPRSS1MEN1ALDH1A1
SCHEMBL13069642 0.80 CES2 (0.49) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL4607275 0.80 CYP3A4 (0.51) PPARGPPARAMEN1ALDH1A1MAPT
SCHEMBL14122304 0.78 LMNA (0.50) SMN1; SMN2PPARGPPARAALDH1A1MAPT
SCHEMBL12458306 0.77 SLC6A2 (0.43) P4HBPDK1PDK2PDK3PDK4
SCHEMBL2916587 0.77 CYP1A2 (0.49) SMN1; SMN2PPARGPPARAMEN1ALDH1A1
SCHEMBL5738818 0.77 TP53BP1 (0.43) PPARGPPARAMEN1KMT2ATBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615899-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACIDS AS PPAR MODULATORS PFIZER INC. (US) 2006-01-18 EP disclosed
US-20050234066-A1 Alpha substituted carboxylic acids AGOURON PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050187266-A1 Alpha substituted carboxylic acids PFIZER INC 2005-08-25 US disclosed
WO-2004092145-A1 ALPHA SUBSTITUTED CARBOXYLIC ACID AS PPAR MODULATORS PFIZER INC. (US) 2004-10-28 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-20050234066-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD P4HB 4598/4885PDK1 1206/4885PDK2 357/4885
US-20050187266-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD P4HB 4598/4885PDK1 1206/4885PDK2 357/4885

“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.