SCHEMBL4887058

SCHEMBL4887058

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
MME P08473 1/20 0.43
APAF1 O14727 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 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
SCHEMBL4889916 1.00 FFAR1 (0.47) FFAR1GABBR2GABBR1TDP1MAPT
SCHEMBL4887049 1.00 FFAR1 (0.47) FFAR1GABBR2GABBR1TDP1MAPT
SCHEMBL4891317 0.85 SIGMAR1 (0.58) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL4884775 0.85 SIGMAR1 (0.58) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL21193183 0.85 SIGMAR1 (0.58) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL4891321 0.85 SIGMAR1 (0.58) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL4884771 0.85 SIGMAR1 (0.58) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL4884782 0.85 SIGMAR1 (0.58) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL4848433 0.84 KCNA5 (0.50) MAPTTSHRKMT2AHPGDRAB9A
SCHEMBL4889302 0.82 ADAMTS4 (0.49) FFAR1GABBR2GABBR1MAPTTSHR

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 107/4885GABBR2 1906/4885GABBR1 1943/4885

“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.