SCHEMBL4846848

SCHEMBL4846848

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 5/20 0.51
PKM P14618 1/20 0.49
MAPK1 P28482 2/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL4856839 0.88 ALDH1A1 (0.62) SMN1; SMN2HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL4851332 0.80 MEN1 (0.60) SMN1; SMN2HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL4855824 0.77 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19326700 0.77 MEN1 (0.61) SMN1; SMN2HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL19326702 0.77 MEN1 (0.61) SMN1; SMN2HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL4857528 0.76 MEN1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1744784 0.76 SMN1; SMN2 (0.64) SMN1; SMN2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL8804044 0.76 ALDH1A1 (0.59) SMN1; SMN2HSD17B10ALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL5109987 0.76 SMN1; SMN2 (0.64) SMN1; SMN2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL1099886 0.75 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1KDM4ETSHRMEN1

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 SMN1; SMN2 4168/4885HSD17B10 115/4885ALDH1A1 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.