SCHEMBL2236402

SCHEMBL2236402

CC(C)COC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
TSHR P16473 4/20 0.50
HTT P42858 4/20 0.50
MAPK1 P28482 3/20 0.50
ALOX15 P16050 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.46
MAOB P27338 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
AAK1 Q2M2I8 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 2/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL2263242 0.86 HSD17B10 (0.54) LMNATSHRHTTMAPK1ALOX15
SCHEMBL12516275 0.84 HPGD (0.57) LMNATSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL31287007 0.84 HPGD (0.56) TSHRHTTMAPK1ALOX15SMN1; SMN2
SCHEMBL30874514 0.83 CA1 (0.46) MAPK1SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL13449248 0.83 HPGD (0.44) LMNATSHRHTTMAPK1SMN1; SMN2
SCHEMBL28663994 0.80 SMN1; SMN2 (0.50) LMNATSHRHTTL3MBTL1SMN1; SMN2
SCHEMBL2236352 0.80 CA1 (0.42) LMNAL3MBTL1SMN1; SMN2CA1CA2
SCHEMBL1300326 0.79 PRMT5 (0.47) CA1CA2CA9AAK1HDAC3
SCHEMBL22866678 0.79 ALDH1A1 (0.43) TSHRALDH1A1AAK1LPLLIPG
SCHEMBL29895473 0.79 PRMT5 (0.47) CA1CA2CA9AAK1HDAC3

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-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 LMNA 4501/4885TSHR 1264/4885HTT 2474/4885

“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.