SCHEMBL25159573

SCHEMBL25159573

CC(C)[C@@H](CO)NC(=O)CN

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.36
CTSC P53634 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ASAH1 Q13510 1/20 0.34
CNR1 P21554 2/20 0.33
LMNA P02545 1/20 0.32
ACACB O00763 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
THRB P10828 1/20 0.31
CETP P11597 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL4341764 0.84 MEN1 (0.38) PAX8MEN1KMT2AASAH1CNR1
SCHEMBL14902203 0.83 MEN1 (0.35) PAX8MEN1KMT2AASAH1CNR1
SCHEMBL31036970 0.80 CYP2C9 (0.45) PAX8MEN1KMT2AASAH1CNR1
SCHEMBL12435807 0.80 CYP2C9 (0.45) PAX8MEN1KMT2AASAH1CNR1
SCHEMBL31483112 0.77 PAX8 (0.38) PAX8MEN1KMT2ACNR1LMNA
SCHEMBL31483006 0.77 PAX8 (0.38) PAX8MEN1KMT2ACNR1LMNA
SCHEMBL30455295 0.77
SCHEMBL29957682 0.77
SCHEMBL25159722 0.77
SCHEMBL15468359 0.77 MEN1 (0.49) MEN1KMT2AASAH1THRBCETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257593-A1 CHIRAL MULTIDENTATE LIGAND AND USE THEREOF IN ASYMMETRIC HYDROGENATION SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2023-10-11 EP disclosed
WO-2023077643-A1 CHIRAL MULTIDENTATE LIGAND AND USE THEREOF IN ASYMMETRIC HYDROGENATION 凯特立斯(深圳)科技有限公司 2023-05-11 WO disclosed
US-20230124576-A1 CHIRAL MULTIDENTATE LIGAND, AND APPLICATION THEREOF IN ASYMMETRIC HYDROGENATION SHENZHEN CATALYS TECHNOLOGY CO., LTD (CN) 2023-04-20 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-20230124576-A1 CHIRAL MULTIDENTATE LIGAND, AND APPLICATION THEREOF IN ASYMMETRIC HYDROGENATION H1-4, CHRM1, CHRM2 PAX8 2032/4885CTSC 3268/4885MEN1 39/4885

“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.