SCHEMBL4846869

SCHEMBL4846869

COC(=O)CC(NC(C)c1cccc2ccccc12)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
EPHX2 P34913 2/20 0.47
TACR3 P29371 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SLC6A4 P31645 1/20 0.42
LTC4S Q16873 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
SCHEMBL4889327 0.88 EPHX2 (0.50) METAP2METAP1EPHX2LMNAGAA
SCHEMBL4886816 0.88 EPHX2 (0.50) METAP2METAP1EPHX2LMNAGAA
SCHEMBL4886793 0.88 EPHX2 (0.50) METAP2METAP1EPHX2LMNAGAA
SCHEMBL4848581 0.84 MEN1 (0.48) METAP2METAP1EPHX2LMNAGAA
SCHEMBL4858585 0.82 KCNA5 (0.49) TACR3KMT2AMEN1ALDH1A1
SCHEMBL4890456 0.76 CYP2C9 (0.52) METAP2METAP1EPHX2LMNAGAA
SCHEMBL4890452 0.76 CYP2C9 (0.52) METAP2METAP1EPHX2LMNAGAA
SCHEMBL4885826 0.76 CYP2C9 (0.52) METAP2METAP1EPHX2LMNAGAA
SCHEMBL4885832 0.76 CYP2C9 (0.52) METAP2METAP1EPHX2LMNAGAA
SCHEMBL4885841 0.76 CYP2C9 (0.52) METAP2METAP1EPHX2LMNAGAA

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 METAP2 82/4885METAP1 84/4885EPHX2 35/4885

“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.