SCHEMBL7320828

SCHEMBL7320828

C[C@H](NCOC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
PGD P52209 1/20 0.30

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
SCHEMBL25636796 1.00 MAPK1 (0.41) MAPK1GRNSORT1MEN1GAA
SCHEMBL13621552 0.82 MAPK1 (0.40) MAPK1CA1CA2CA7
SCHEMBL13632327 0.80 MAPK1 (0.39) MAPK1
SCHEMBL1313208 0.79 MAPK1 (0.42) MAPK1GRNSORT1MEN1GAA
SCHEMBL24425244 0.78 GRN (0.36) MAPK1GRNSORT1MEN1GAA
SCHEMBL13259714 0.78 GRN (0.36) MAPK1GRNSORT1MEN1GAA
SCHEMBL19419003 0.75 GRN (0.40) MAPK1GRNSORT1MMECA2
SCHEMBL15311138 0.73 MEN1 (0.33) MAPK1GRNSORT1MEN1GAA
SCHEMBL1339541 0.72 CYP2D6 (0.39) MEN1GAAKMT2ACA1CA2
SCHEMBL2317242 0.72 CYP2D6 (0.39) MEN1GAAKMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP claimed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US claimed
US-20230192703-A1 Polycyclic amide derivative as CDK9 inhibitor, preparation method therefor and use thereof Suzhou Alphama Biotechnology Co., Ltd. (CN) 2023-06-22 US disclosed
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP disclosed
US-6232305-B1 ANTICANCER AGENTS; BONE DISORDERS; ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM DISORDERS NAEJA PHARMACEUTICAL INC. (CA) 2001-05-15 US disclosed
EP-0961779-A1 SUBSTITUTED AMINO BICYCLIC-$g(b)-LACTAM PENAM AND CEPHAM DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (CA) 1999-12-08 EP disclosed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US disclosed
WO-1998032766-A1 SUBSTITUTED AMINO BICYCLIC-β-LACTAM PENAM AND CEPHAM DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (US) 1998-07-30 WO 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-20230192703-A1 Polycyclic amide derivative as CDK9 inhibitor, preparation method therefor and use thereof CDK9, CDK8, CDK19 MAPK1 272/4885GRN 4486/4885SORT1 4616/4885

“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.