SCHEMBL4882610

SCHEMBL4882610

O=C(O)C[C@@H](NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 2/20 0.51
PRNP P04156 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CTSA P10619 3/20 0.47
POLB P06746 1/20 0.47
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A9 P48067 2/20 0.43
SLC6A5 Q9Y345 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
SCHEMBL4882633 1.00 EEF2K (0.51) EEF2KPRNPNPSR1RXFP1CTSA
SCHEMBL4883212 1.00 EEF2K (0.51) EEF2KPRNPNPSR1RXFP1CTSA
SCHEMBL4883284 0.90 ALDH1A1 (0.50) EEF2KALDH1A1CYP2C19ATML3MBTL1
SCHEMBL4890478 0.90 ALDH1A1 (0.50) EEF2KALDH1A1CYP2C19ATML3MBTL1
SCHEMBL4883269 0.90 ALDH1A1 (0.50) EEF2KALDH1A1CYP2C19ATML3MBTL1
SCHEMBL4856344 0.85 ALDH1A1 (0.49) NPSR1POLBCNR2ALDH1A1KDM4E
SCHEMBL4886917 0.84 LMNA (0.54) CTSACNR2ALDH1A1KDM4EFNTA
SCHEMBL4886930 0.84 LMNA (0.54) CTSACNR2ALDH1A1KDM4EFNTA
SCHEMBL4889290 0.84 LMNA (0.54) CTSACNR2ALDH1A1KDM4EFNTA
SCHEMBL16680798 0.81 ALDH1A1 (0.47) EEF2KPRNPNPSR1RXFP1CTSA

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 5 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
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO 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 EEF2K 1883/4885PRNP 3123/4885NPSR1 170/4885

“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.