SCHEMBL2263242

SCHEMBL2263242

CCOC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 2/20 0.48
F2R P25116 1/20 0.48
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
MTNR1B P49286 1/20 0.46
RAB9A P51151 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46

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
SCHEMBL12516275 0.90 HPGD (0.57) HSD17B10MAPK1LMNAMAPTALDH1A1
SCHEMBL3449954 0.88 MAPT (0.46) HSD17B10MAPK1LMNAMAPTALDH1A1
SCHEMBL30874514 0.87 CA1 (0.46) MAPK1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13449248 0.86 HPGD (0.44) HSD17B10MAPK1LMNAMAPTNPC1
SCHEMBL2236402 0.86 LMNA (0.50) HSD17B10MAPK1LMNAMAPTALDH1A1
SCHEMBL28602436 0.84 CA1 (0.50) HSD17B10MAPK1LMNAMAPTALDH1A1
SCHEMBL7139795 0.84 CA1 (0.48) HSD17B10MEN1KMT2ALPLLIPG
SCHEMBL3264202 0.83 GAA (0.56) MAPK1LMNAMAPTALDH1A1NPC1
SCHEMBL1300326 0.82 PRMT5 (0.47) CYP2C19CYP3A4HDAC3HDAC1HDAC2
SCHEMBL31287007 0.82 HPGD (0.56) MAPK1MAPTNPC1SMN1; SMN2HTT

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 2 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
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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 HSD17B10 3929/4885MAPK1 342/4885LMNA 4501/4885

“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.