SCHEMBL4856839

SCHEMBL4856839

COC(=O)CC(C)NCc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 1/20 0.62
TSHR P16473 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.60
HSD17B10 Q99714 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 5/20 0.53
PKM P14618 1/20 0.51
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL4846848 0.88 SMN1; SMN2 (0.57) ALDH1A1KDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL4851332 0.82 MEN1 (0.60) ALDH1A1KDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL15624535 0.80 TAAR1 (0.60) ALDH1A1KDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL4856838 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL19326700 0.79 MEN1 (0.61) ALDH1A1KDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL19326702 0.79 MEN1 (0.61) ALDH1A1KDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL1744784 0.78 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2HSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL5109987 0.77 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL8804044 0.77 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRSMN1; SMN2HSD17B10
SCHEMBL1099886 0.77 ALDH1A1 (0.70) ALDH1A1KDM4ETSHRSMN1; SMN2MEN1

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 ALDH1A1 1354/4885KDM4E 4728/4885TSHR 2523/4885

“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.