SCHEMBL4776117

SCHEMBL4776117

Cc1cncc(/C=C(\C(=O)O)C(=O)c2cccs2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
PKM P14618 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DAO P14920 1/20 0.37
GAA P10253 3/20 0.37
POLB P06746 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4776131 1.00 CES2 (0.41) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL4769572 0.80 HCAR2 (0.42) CES2CES1TP53MAPTALDH1A1
SCHEMBL4769575 0.80 HCAR2 (0.42) CES2CES1TP53MAPTALDH1A1
SCHEMBL4774890 0.74 HCAR2 (0.40) CES2CES1MAPTALDH1A1LMNA
SCHEMBL4774895 0.74 HCAR2 (0.40) CES2CES1MAPTALDH1A1LMNA
SCHEMBL4778643 0.72 CES2 (0.44) CES2CES1MAPTALDH1A1GAA
SCHEMBL4778649 0.72 CES2 (0.44) CES2CES1MAPTALDH1A1GAA
SCHEMBL4775073 0.69 ATM (0.39) KMT2AMEN1
SCHEMBL4775068 0.69 ATM (0.39) KMT2AMEN1
SCHEMBL490712 0.67 MEN1 (0.68) CES2CES1NPC1RAB9ASMN1; SMN2

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 3 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
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 1062/4885NPC1 4262/4885

“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.