SCHEMBL4708947

SCHEMBL4708947

CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 4/20 0.46
CASP3 P42574 1/20 0.45
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.44
USP30 Q70CQ3 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TRPC5 Q9UL62 1/20 0.43

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
SCHEMBL4711716 1.00 MEN1 (0.48) MEN1KMT2AALDH1A1CASP3PKM
SCHEMBL3203712 0.87 ALDH1A1 (0.46) MEN1KMT2AALDH1A1CASP3PKM
SCHEMBL22279598 0.85 TRPC5 (0.46) MEN1KMT2AALDH1A1CASP3PKM
SCHEMBL7020611 0.82 CCKBR (0.53) MEN1KMT2AHPGDTSHR
SCHEMBL4920256 0.82 CCKBR (0.53) MEN1KMT2AHPGDTSHR
SCHEMBL13177349 0.78 USP30 (0.62) ALDH1A1L3MBTL1ATMUSP30MAPK1
SCHEMBL853540 0.78 USP30 (0.62) ALDH1A1L3MBTL1ATMUSP30MAPK1
SCHEMBL14037432 0.78 USP30 (0.62) ALDH1A1L3MBTL1ATMUSP30MAPK1
SCHEMBL1055082 0.78 USP30 (0.62) ALDH1A1L3MBTL1ATMUSP30MAPK1
SCHEMBL853539 0.78 USP30 (0.62) ALDH1A1L3MBTL1ATMUSP30MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183019-B2 (3R,4R)-3-hydroxy-4-hydroxymethylpyrrolidine or (3S,4S)-3-hydroxy-4-hydroxymethylpyrrolidine; enzyme-catalysed enantioselective hydrolysis of a racemic 3,4-trans-disubstituted pyrrolidinone; for purine nucleoside phosphorylase (PNP) inhibitors INDUSTRIAL RESEARCH LIMITED (NZ) 2012-05-22 US disclosed
US-8183019-B2 (3R,4R)-3-hydroxy-4-hydroxymethylpyrrolidine or (3S,4S)-3-hydroxy-4-hydroxymethylpyrrolidine; enzyme-catalysed enantioselective hydrolysis of a racemic 3,4-trans-disubstituted pyrrolidinone; for purine nucleoside phosphorylase (PNP) inhibitors INDUSTRIAL RESEARCH LIMITED (NZ) 2012-05-22 US disclosed
EP-1756052-B1 IMPROVED METHOD FOR PREPARING 3-HYDROXY-4-HYDROXYMETHYL-PYRROLIDINE COMPOUNDS IND RES LTD (NZ) 2008-12-10 EP disclosed
US-20080280334-A1 Method for Preparing 3-Hydroxy-4-Hydroxymethyl-Pyrrolidine Compounds ALBERT EINSTEIN COLLEGE OF MEDICINE 2008-11-13 US disclosed
US-20080280334-A1 Method for Preparing 3-Hydroxy-4-Hydroxymethyl-Pyrrolidine Compounds ALBERT EINSTEIN COLLEGE OF MEDICINE 2008-11-13 US 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-20080280334-A1 Method for Preparing 3-Hydroxy-4-Hydroxymethyl-Pyrrolidine Compounds HPD, DHPS, CYP3A5 MEN1 3068/4885KMT2A 1957/4885ALDH1A1 186/4885

“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.