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
SCHEMBL7519384 0.82 LMNA (0.56) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL7519380 0.82 LMNA (0.56) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL7513910 0.77 MAPT (0.56) LMNAMAPTKDM4EALDH1A1GAA
SCHEMBL13302673 0.77 TAS1R3 (0.63) RAB9ANPC1SMN1; SMN2TP53TAS1R3
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.

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