SCHEMBL2852865

SCHEMBL2852865

CCOC(=O)CC(CC(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
MAPT P10636 8/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 4/20 0.48
GAA P10253 3/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
HPGD P15428 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL2850899 0.89 MAPT (0.52) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL28242851 0.83 CTRB1 (0.50) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL7519380 0.82 LMNA (0.56) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL7519384 0.82 LMNA (0.56) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL13302673 0.77 TAS1R3 (0.63) RAB9ANPC1SMN1; SMN2TP53TAS1R3
SCHEMBL7513910 0.77 MAPT (0.56) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL7775216 0.75 ALDH1A1 (0.55) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL7954574 0.75 ALDH1A1 (0.55) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL7954572 0.75 ALDH1A1 (0.55) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL716408 0.75 MEN1 (0.61) LMNAMAPTKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2100875-B1 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives TAKASAGO PERFUMERY CO LTD (JP) 2016-11-16 EP disclosed
EP-1685092-B1 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES TAKASAGO PERFUMERY CO LTD (JP) 2010-01-13 EP disclosed
US-7626034-B2 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-12-01 US disclosed
EP-2100875-A1 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives Takasago International Corporation (JP) 2009-09-16 EP disclosed
US-20070142443-A1 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
EP-1685092-A2 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES Takasago International Corporation (JP) 2006-08-02 EP disclosed
WO-2005028419-A2 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-03-31 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-20070142443-A1 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives AADAT, BCAT2, BCAT1 LMNA 1833/4885MAPT 3340/4885KDM4E 549/4885

“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.