SCHEMBL6319749

SCHEMBL6319749

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TYR P14679 1/20 0.43
AOC3 Q16853 5/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2A13 Q16696 1/20 0.39
ALDH3A1 P30838 1/20 0.37
ALDH1A3 P47895 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
EGFR P00533 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
SCHEMBL4753451 0.81 KDM4E (0.49) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL4583626 0.81 AOC3 (0.61) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL6318439 0.80 MEN1 (0.52) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL20660983 0.80 AOC3 (0.62) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL6665120 0.80 ADRB2 (0.37) KDM4EMEN1KMT2ASMN1; SMN2TYR
SCHEMBL6320706 0.79 KDM4E (0.54) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL6320678 0.79 KDM4E (0.57) KDM4EMEN1KMT2ASMN1; SMN2AOC3
SCHEMBL23040664 0.74 KDM4E (0.53) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23040663 0.74 KDM4E (0.53) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1935709 0.74 RAB9A (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869788-B2 DNA encoding novel D-aminoacylase and process for producing D-amino acid by using the same MITSUI CHEMICALS, INC. (JP) 2005-03-22 US disclosed
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
EP-1365023-A1 DNA ENCODING NOVEL D-AMINOACYLASE AND PROCESS FOR PRODUCING D-AMINO ACID BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2003-11-26 EP disclosed
US-20030207436-A1 Dna encoding novel d-aminoacylase and process for producing d-amino acid by using the same MITSUI CHEMICALS, INC. (JP) 2003-11-06 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.