SCHEMBL4865799

SCHEMBL4865799

CC(CC(=O)OCCC#N)NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
MAPT P10636 2/20 0.40
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CTSS P25774 5/20 0.40
CTSL P07711 3/20 0.40
CTSB P07858 2/20 0.40
CTSK P43235 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4855902 0.84 SIGMAR1 (0.49) SIGMAR1MAPTALDH1A1L3MBTL1MEN1
SCHEMBL4851222 0.84 ALDH1A1 (0.45) MAPTMCL1ALDH1A1CTSSCTSL
SCHEMBL4854010 0.83 SIGMAR1 (0.47) SIGMAR1MAPTALDH1A1L3MBTL1MEN1
SCHEMBL536970 0.81 PPID (0.55) SIGMAR1MAPTALDH1A1L3MBTL1MEN1
SCHEMBL8936169 0.81 PPID (0.55) SIGMAR1MAPTALDH1A1L3MBTL1MEN1
SCHEMBL4856083 0.80 EPHX2 (0.47) SIGMAR1ALDH1A1
SCHEMBL8996599 0.79 SIGMAR1 (0.56) SIGMAR1MAPTALDH1A1L3MBTL1MEN1
SCHEMBL8996609 0.79 SIGMAR1 (0.56) SIGMAR1MAPTALDH1A1L3MBTL1MEN1
SCHEMBL891954 0.79 SIGMAR1 (0.56) SIGMAR1MAPTALDH1A1L3MBTL1MEN1
SCHEMBL4855959 0.76 SIGMAR1 (0.46) SIGMAR1MAPTALDH1A1L3MBTL1MEN1

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 SIGMAR1 1339/4885MAPT 4153/4885MCL1 4799/4885

“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.