SCHEMBL4778643

SCHEMBL4778643

COc1ccc(C(=O)/C(=C/c2cncc(C)c2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
GAA P10253 1/20 0.42
MAP4K4 O95819 1/20 0.41
CHEK1 O14757 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
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
SCHEMBL4778649 1.00 CES2 (0.44) CES2CES1GAAMAP4K4CHEK1
SCHEMBL4774863 0.86 MEN1 (0.52) CES2CES1GAAMAP4K4CYP1A2
SCHEMBL4774867 0.86 MEN1 (0.52) CES2CES1GAAMAP4K4CYP1A2
SCHEMBL4769575 0.85 HCAR2 (0.42) CES2CES1GAACYP1A2MAPT
SCHEMBL4769572 0.85 HCAR2 (0.42) CES2CES1GAACYP1A2MAPT
SCHEMBL4774895 0.85 HCAR2 (0.40) CES2CES1CYP1A2MAPTALDH1A1
SCHEMBL4774890 0.85 HCAR2 (0.40) CES2CES1CYP1A2MAPTALDH1A1
SCHEMBL4778773 0.82 KMT2A (0.48) CES2CES1GAAMAP4K4CYP1A1
SCHEMBL4778777 0.82 KMT2A (0.48) CES2CES1GAAMAP4K4CYP1A1
SCHEMBL28152603 0.81 MAOA (0.55) CES2CES1CA1CA2MAOA

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
US-7459451-B2 e.g. 1-Ethyl-4-(5-methyl-3-pyridyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid; phosphodiesterase (PDE)-IV inhibitor or tumor necrosis factor (TNF)- alpha antagonist; autoimmune diseases, antidepressant, anxiolytic agent; polychondritis, scleroderma, fibrosis, arthritis, Alzheimer's disease ASTELLAS PHARMA INC. (JP) 2008-12-02 US disclosed
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP disclosed
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP disclosed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO disclosed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 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 (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-20060004003-A1 Pyrazolopyridine derivatives PDE4A, PDE3B, PDE5A CES2 1517/4885CES1 1062/4885GAA 1143/4885

“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.