SCHEMBL6794880

SCHEMBL6794880

COc1ccc2c(c1)C(=O)/C(=C(\O)C(=O)O)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.57
MIF P14174 3/20 0.46
CES2 O00748 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOB P27338 3/20 0.45
ABCB1 P08183 1/20 0.43
ACHE P22303 4/20 0.43
BCHE P06276 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL6794886 1.00 METAP1 (0.57) METAP1MIFCES2GAAALDH1A1
SCHEMBL6793599 0.79 MIF (0.52) METAP1MIFGAAALDH1A1KDM4E
SCHEMBL6793591 0.79 MIF (0.52) METAP1MIFGAAALDH1A1KDM4E
SCHEMBL7671483 0.79 MAOB (0.54) L3MBTL1MAOBNPC1RAB9AMAOA
SCHEMBL6947643 0.79 MAOB (0.54) L3MBTL1MAOBNPC1RAB9AMAOA
SCHEMBL11883026 0.77 METAP1 (0.57) METAP1MIFCES2GAAALDH1A1
SCHEMBL1512575 0.76 METAP1 (0.70) METAP1MIFCES2GAAALDH1A1
SCHEMBL25499549 0.76 METAP1 (0.70) METAP1MIFGAAALDH1A1KDM4E
SCHEMBL22907313 0.73 METAP1 (0.66) METAP1MIFCES2GAAALDH1A1
SCHEMBL10267899 0.73 METAP1 (1.00) METAP1MIFCES2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 METAP1 2803/4885MIF 1051/4885CES2 3574/4885

“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.