SCHEMBL4849475

SCHEMBL4849475

CCOC(=O)CC(NCc1ccccc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MMP8 P22894 1/20 0.43
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALOX5 P09917 1/20 0.41
NAMPT P43490 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
SCHEMBL4854090 0.89 MAPT (0.42) PPIDALDH1A1MAPTL3MBTL1PLA2G1B
SCHEMBL83759 0.87 PPID (0.51) PPIDSMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL6374910 0.87 PLA2G1B (0.48) SMN1; SMN2ALDH1A1TSHRMAPTL3MBTL1
SCHEMBL4854425 0.87 PLA2G1B (0.48) SMN1; SMN2ALDH1A1TSHRMAPTL3MBTL1
SCHEMBL4851167 0.87 TSHR (0.45) ALDH1A1TSHRMAPTL3MBTL1PLA2G1B
SCHEMBL4856269 0.86 CTSK (0.43) PPIDSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL334695 0.86 HPGD (0.47) PPIDTSHRMAPTMEN1KMT2A
SCHEMBL11241912 0.86 PPID (0.50) PPIDSMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL4855380 0.85 TSHR (0.43) SMN1; SMN2ALDH1A1TSHREPHX2
SCHEMBL536970 0.85 PPID (0.55) PPIDSMN1; SMN2ALDH1A1TSHRMAPT

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 PPID 4088/4885SMN1; SMN2 4168/4885ALDH1A1 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.