SCHEMBL2853682

SCHEMBL2853682

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 5/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 5/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX12 P18054 2/20 0.46

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
SCHEMBL31568840 0.89 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL2852773 0.83 RAB9A (0.69) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL2859607 0.83 NPC1 (0.69) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL8683861 0.81 HDAC3 (0.56) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL23280913 0.81 HTT (0.56) RAB9ANPC1HTTALDH1A1LMNA
SCHEMBL8379935 0.80 CA2 (0.62) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL8381293 0.80 CA2 (0.62) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL5940588 0.80 RAB9A (0.68) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL19332203 0.78 HSD11B1 (0.48) SMN1; SMN2MAPTHTTALDH1A1L3MBTL1
SCHEMBL4889311 0.78 PTPRF (0.46) SMN1; SMN2HTTALDH1A1L3MBTL1GAA

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 RAB9A 1424/4885NPC1 4136/4885SMN1; SMN2 4356/4885

“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.