SCHEMBL4854425

SCHEMBL4854425

COC(=O)CC(NCc1ccccc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.42
KCNA5 P22460 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASR P41180 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
SCHEMBL6374910 1.00 PLA2G1B (0.48) PLA2G1BATG4BMAPTL3MBTL1SIGMAR1
SCHEMBL4849475 0.87 PPID (0.52) PLA2G1BATG4BMAPTL3MBTL1SIGMAR1
SCHEMBL5394016 0.85 CA12 (0.46) PLA2G1BATG4BSIGMAR1ALDH1A1POLB
SCHEMBL4850395 0.85 ADAMTS4 (0.49) PLA2G1BATG4BMAPTL3MBTL1SIGMAR1
SCHEMBL4846804 0.85 ADAMTS4 (0.49) PLA2G1BATG4BMAPTL3MBTL1SIGMAR1
SCHEMBL4846816 0.85 ADAMTS4 (0.49) PLA2G1BATG4BMAPTL3MBTL1SIGMAR1
SCHEMBL4855981 0.85 DPP7 (0.50) MAPTKMT2AMEN1TSHRSMN1; SMN2
SCHEMBL4854476 0.85 PLA2G1B (0.49) PLA2G1BATG4BL3MBTL1KMT2AMEN1
SCHEMBL4854090 0.84 MAPT (0.42) PLA2G1BATG4BMAPTL3MBTL1SIGMAR1
SCHEMBL891954 0.84 SIGMAR1 (0.56) PLA2G1BATG4BMAPTL3MBTL1SIGMAR1

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 PLA2G1B 366/4885ATG4B 1466/4885MAPT 4153/4885

“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.