SCHEMBL4882899

SCHEMBL4882899

CC(C)[C@H](CC(=O)O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.49
FFAR1 O14842 2/20 0.45
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.42
CYP2C19 P33261 2/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
RAB9A P51151 1/20 0.41
MMP2 P08253 2/20 0.40
MMP3 P08254 1/20 0.40
APAF1 O14727 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL4889302 1.00 ADAMTS4 (0.49) ADAMTS4FFAR1GABBR2GABBR1MAPT
SCHEMBL4882907 1.00 ADAMTS4 (0.49) ADAMTS4FFAR1GABBR2GABBR1MAPT
SCHEMBL4881946 0.86 ADAMTS4 (0.49) ADAMTS4GABBR2GABBR1MAPTAPAF1
SCHEMBL4883060 0.86 ADAMTS4 (0.49) ADAMTS4GABBR2GABBR1MAPTAPAF1
SCHEMBL4883067 0.86 ADAMTS4 (0.49) ADAMTS4GABBR2GABBR1MAPTAPAF1
SCHEMBL4881942 0.86 ADAMTS4 (0.49) ADAMTS4GABBR2GABBR1MAPTAPAF1
SCHEMBL4881937 0.86 ADAMTS4 (0.49) ADAMTS4GABBR2GABBR1MAPTAPAF1
SCHEMBL4887049 0.82 FFAR1 (0.47) FFAR1GABBR2GABBR1MAPTTSHR
SCHEMBL4887058 0.82 FFAR1 (0.47) FFAR1GABBR2GABBR1MAPTTSHR
SCHEMBL4889916 0.82 FFAR1 (0.47) 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 ADAMTS4 2783/4885FFAR1 107/4885GABBR2 1906/4885

“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.