SCHEMBL9928678

SCHEMBL9928678

C=CC[C@H]1CN(C(=O)O)C[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
MTAP Q13126 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL9928679 1.00 MEN1 (0.35) MEN1ALDH1A1KMT2AMTAPFAAH
SCHEMBL3605608 0.84 MEN1 (0.41) MEN1ALDH1A1KMT2AFAAH
SCHEMBL5993395 0.77 NR1H2 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL18787948 0.77 NR1H2 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL12944961 0.77 NR1H2 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL23669881 0.77 NR1H2 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL15866093 0.77 NR1H2 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL23669168 0.77 NR1H2 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL23930930 0.76 GBA1 (0.33)
SCHEMBL9928687 0.76 CHRNB2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116761-A1 PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 英矽智能科技知识产权有限公司 2023-06-29 WO disclosed
EP-2454263-B1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE ALBERT EINSTEIN COLLEGE MEDICINE INC (US) 2018-06-13 EP disclosed
US-9957272-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2018-05-01 US disclosed
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE VICTORIA LINK LIMITED (NZ) 2017-06-15 US disclosed
US-9493465-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2016-11-15 US disclosed
US-20120157479-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2012-06-21 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 (2 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-20120157479-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE TYMP, MTAP, PNP MEN1 1669/4885ALDH1A1 1539/4885KMT2A 1305/4885
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE TYMP, MTAP, PNP MEN1 1555/4885ALDH1A1 1504/4885KMT2A 1238/4885

“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.