SCHEMBL4879477

SCHEMBL4879477

CC[C@H](CC(=O)O)NCc1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PIN1 Q13526 3/20 0.46
CYP1A2 P05177 2/20 0.46
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
CYP2A6 P11509 1/20 0.44
NR1H4 Q96RI1 2/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
IDO1 P14902 1/20 0.43
MEN1 O00255 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL4879488 1.00 FFAR1 (0.48) FFAR1KMT2AALDH1A1L3MBTL1PIN1
SCHEMBL4880528 1.00 FFAR1 (0.48) FFAR1KMT2AALDH1A1L3MBTL1PIN1
SCHEMBL4851214 0.86 KMT2A (0.43) FFAR1KMT2AALDH1A1L3MBTL1CYP1A2
SCHEMBL20032429 0.85 CYP1A2 (0.55) KMT2AALDH1A1L3MBTL1CYP1A2CYP2A6
SCHEMBL4856801 0.84 POLB (0.46) KMT2AALDH1A1L3MBTL1CPA1MEN1
SCHEMBL1832078 0.84 POLB (0.46) KMT2AALDH1A1L3MBTL1CPA1MEN1
SCHEMBL4855726 0.84 POLB (0.46) KMT2AALDH1A1L3MBTL1CPA1MEN1
SCHEMBL4882353 0.83 FFAR1 (0.50) FFAR1KMT2ACYP1A2MMEACE
SCHEMBL4882375 0.83 FFAR1 (0.50) FFAR1KMT2ACYP1A2MMEACE
SCHEMBL4886440 0.83 FFAR1 (0.50) FFAR1KMT2ACYP1A2MMEACE

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 FFAR1 107/4885KMT2A 4504/4885ALDH1A1 1354/4885

“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.