SCHEMBL6320706

SCHEMBL6320706

CN(CC(O)c1ccc(CO)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
AOC3 Q16853 5/20 0.42
ALDH1A1 P00352 1/20 0.40
LIMK2 P53671 1/20 0.39
CNR2 P34972 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6320678 0.87 KDM4E (0.57) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL4753451 0.83 KDM4E (0.49) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL4583626 0.82 AOC3 (0.61) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL20660983 0.81 AOC3 (0.62) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL6318439 0.81 MEN1 (0.52) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL6320187 0.80 AOC3 (0.46) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL6666186 0.79 PPARG (0.40) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL6319749 0.79 KDM4E (0.46) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL6320185 0.77 AOC3 (0.46) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL1935803 0.76 RAB9A (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1PPARG

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-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US disclosed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
US-20040116464-A1 Aryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2004-06-17 US disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 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 (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-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 KDM4E 1156/4885MEN1 1462/4885KMT2A 2402/4885

“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.