SCHEMBL724429

SCHEMBL724429

CC(C)(C[N+](=O)[O-])NNC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
ALOX5 P09917 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 4/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32

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
SCHEMBL1407032 0.76 APLNR (0.43) APLNRTDP1MAPK1CA1CA2
SCHEMBL27891717 0.74 APLNR (0.42) APLNRTDP1MAPK1CA1CA2
SCHEMBL17707949 0.73 APLNR (0.40) APLNRALOX5TDP1ALDH1A1CA1
SCHEMBL5073789 0.71 APLNR (0.44) APLNRTDP1MAPK1CA1CA2
SCHEMBL17708251 0.70 APLNR (0.40) APLNRALOX5TDP1CA1CA2
SCHEMBL284141 0.70 APLNR (0.55) APLNRTDP1ALDH1A1MAPK1CA1
SCHEMBL18420350 0.69 TDP1 (0.53) TDP1ALDH1A1CA1CA2CA7
SCHEMBL6073669 0.68 CYP2D6 (0.33) APLNRTDP1ALDH1A1CA1CA2
SCHEMBL10068419 0.68 CA1 (0.46) CA1CA2CA7MEN1KMT2A
SCHEMBL7643226 0.67 MEN1 (0.41) APLNRTDP1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590982-B1 PROTEIN KINASE INHIBITORS AND METHODS OF TREATMENT THE WALTER AND ELIZA HALL INST OF MEDICAL RES (AU) 2017-08-23 EP disclosed
EP-2590982-B1 PROTEIN KINASE INHIBITORS AND METHODS OF TREATMENT THE WALTER AND ELIZA HALL INST OF MEDICAL RES (AU) 2017-08-23 EP disclosed
US-8962830-B2 Protein kinase inhibitors and methods of treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2015-02-24 US disclosed
US-8962830-B2 Protein kinase inhibitors and methods of treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2015-02-24 US disclosed
US-20130184274-A1 Protein Kinase Inhibitors and Methods of Treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2013-07-18 US disclosed
US-20130184274-A1 Protein Kinase Inhibitors and Methods of Treatment THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2013-07-18 US disclosed
EP-2590982-A1 PROTEIN KINASE INHIBITORS AND METHODS OF TREATMENT The Walter and Eliza Hall Institute of Medical Research (AU) 2013-05-15 EP disclosed
WO-2012003544-A1 PROTEIN KINASE INHIBITORS AND METHODS OF TREATMENT THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2012-01-12 WO disclosed
WO-2012003544-A1 PROTEIN KINASE INHIBITORS AND METHODS OF TREATMENT THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2012-01-12 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-20130184274-A1 Protein Kinase Inhibitors and Methods of Treatment PRKDC, PRKACA, PRKX APLNR 4192/4885ALOX5 2507/4885TDP1 797/4885

“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.