SCHEMBL3872084

SCHEMBL3872084

CC/C(=C/C(=O)O)Nc1ccc(C(F)(F)F)cc1.CNC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
EPHX2 P34913 1/20 0.47
MTOR P42345 1/20 0.46
RAB9A P51151 2/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
TGM2 P21980 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 4/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL3872087 1.00 MEN1 (0.48) MEN1KMT2AALDH1A1EPHX2MTOR
SCHEMBL10003978 0.94 EPHX2 (0.53) MEN1KMT2AALDH1A1EPHX2MTOR
SCHEMBL10003976 0.94 EPHX2 (0.53) MEN1KMT2AALDH1A1EPHX2MTOR
SCHEMBL10003973 0.94 EPHX2 (0.53) MEN1KMT2AALDH1A1EPHX2MTOR
SCHEMBL8996507 0.82 KIF11 (0.53) MEN1KMT2AALDH1A1EPHX2RAB9A
SCHEMBL8996026 0.81 MAPT (0.54) MEN1KMT2AALDH1A1EPHX2RAB9A
SCHEMBL3196309 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1EPHX2RAB9A
SCHEMBL3196296 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1EPHX2RAB9A
SCHEMBL10003624 0.78 MAPT (0.47) MEN1KMT2AALDH1A1RAB9ATGM2
SCHEMBL10003627 0.78 MAPT (0.47) MEN1KMT2AALDH1A1RAB9ATGM2

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 6 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
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 MEN1 3189/4885KMT2A 147/4885ALDH1A1 326/4885

“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.