SCHEMBL4883284

SCHEMBL4883284

O=C(O)CC(NC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
ATM Q13315 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
EEF2K O00418 3/20 0.48
GABBR2 O75899 1/20 0.47
GABBR1 Q9UBS5 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C19 P33261 1/20 0.43
CPA1 P15085 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CPB1 P15086 1/20 0.43
CPA3 P15088 1/20 0.43
CPB2 Q96IY4 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL4890478 1.00 ALDH1A1 (0.50) ALDH1A1ATML3MBTL1EEF2KGABBR2
SCHEMBL4883269 1.00 ALDH1A1 (0.50) ALDH1A1ATML3MBTL1EEF2KGABBR2
SCHEMBL4889290 0.90 LMNA (0.54) ALDH1A1ATML3MBTL1SMN1; SMN2KMT2A
SCHEMBL4886930 0.90 LMNA (0.54) ALDH1A1ATML3MBTL1SMN1; SMN2KMT2A
SCHEMBL4883212 0.90 EEF2K (0.51) ALDH1A1ATML3MBTL1EEF2KCYP2C19
SCHEMBL4882633 0.90 EEF2K (0.51) ALDH1A1ATML3MBTL1EEF2KCYP2C19
SCHEMBL4882610 0.90 EEF2K (0.51) ALDH1A1ATML3MBTL1EEF2KCYP2C19
SCHEMBL4886917 0.90 LMNA (0.54) ALDH1A1ATML3MBTL1SMN1; SMN2KMT2A
SCHEMBL4883094 0.86 GPR88 (0.53) ALDH1A1L3MBTL1SMN1; SMN2HTTHPGD
SCHEMBL4879387 0.86 GPR88 (0.53) ALDH1A1L3MBTL1SMN1; SMN2HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 EP 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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 ALDH1A1 1354/4885ATM 3793/4885L3MBTL1 4360/4885

“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.