SCHEMBL461797

SCHEMBL461797

CC(C)(C)ONC(=O)c1cc(B(O)O)cs1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
EGFR P00533 1/20 0.32
TRPV1 Q8NER1 2/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL23092955 0.76 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9974183 0.74 CTPS1 (0.40) ALDH1A1LMNAPOLBMAPTMAPK1
SCHEMBL1475897 0.71 HPGD (0.42) ALDH1A1LMNAPOLBMAPTMAPK1
SCHEMBL2182135 0.71 MAPT (0.52) ALDH1A1LMNAPOLBMAPTL3MBTL1
SCHEMBL560732 0.69 DAO (0.52) ALDH1A1MAPT
SCHEMBL361988 0.67 ALDH1A1 (0.40) ALDH1A1POLBMAPTMAPK1L3MBTL1
SCHEMBL438824 0.67 CYP17A1 (0.35)
SCHEMBL31581039 0.64 KDM4A (0.40) LMNAL3MBTL1
SCHEMBL29957364 0.62 MAPK14 (0.31) TRPV1
SCHEMBL24323396 0.61 DAO (0.47) ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278306-B2 C-met protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-02 US disclosed
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-8058271-B2 Selective inhibitors of rock protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-15 US disclosed
US-20070270386-A1 Selective inhibitors of rock protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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-20070270386-A1 Selective inhibitors of rock protein kinase and uses thereof ROCK1, ROCK2, MYLK ALDH1A1 4286/4885LMNA 2009/4885EGFR 3084/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK ALDH1A1 3009/4885LMNA 2919/4885EGFR 295/4885

“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.