SCHEMBL4883263

SCHEMBL4883263

O=C(O)CC(CO)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
CPA1 P15085 2/20 0.44
CPB1 P15086 1/20 0.44
CPA3 P15088 1/20 0.44
CPB2 Q96IY4 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
ACP3 P15309 3/20 0.44
SIGMAR1 Q99720 1/20 0.42
MEP1B Q16820 2/20 0.41
THRB P10828 1/20 0.41
IDO1 P14902 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL4888167 1.00 GAA (0.45) GAAMAPTCPA1CPB1CPA3
SCHEMBL4883258 1.00 GAA (0.45) GAAMAPTCPA1CPB1CPA3
SCHEMBL4883084 0.86 CPA1 (0.53) GAAMAPTCPA1CPB1CPA3
SCHEMBL4883092 0.86 CPA1 (0.53) GAAMAPTCPA1CPB1CPA3
SCHEMBL4889079 0.86 CPA1 (0.53) GAAMAPTCPA1CPB1CPA3
SCHEMBL4441100 0.85 IDO1 (0.50) GAAMAPTCYP3A4MAPK1ACP3
SCHEMBL4876272 0.84 GAA (0.44) GAAMAPTCPA1CPB1CPA3
SCHEMBL4876258 0.84 GAA (0.44) GAAMAPTCPA1CPB1CPA3
SCHEMBL4855726 0.84 POLB (0.46) GAAMAPTCPA1CPB1CPA3
SCHEMBL4886835 0.84 GAA (0.44) GAAMAPTCPA1CPB1CPA3

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
WO-2017158151-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2017-09-21 WO disclosed
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 GAA 1786/4885MAPT 4153/4885CPA1 508/4885

“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.