SCHEMBL2220666

SCHEMBL2220666

CCOc1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.40
LPL P06858 8/20 0.40
LIPG Q9Y5X9 8/20 0.40
DGAT1 O75907 2/20 0.38
HIF1A Q16665 2/20 0.36
ALPL P05186 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
EGFR P00533 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
F2 P00734 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL13275325 0.90 LPL (0.41) SNCALPLLIPGDGAT1HIF1A
SCHEMBL20392825 0.86 SNCA (0.50) SNCALPLLIPGDGAT1ALPL
SCHEMBL13274885 0.86 SNCA (0.41) SNCALPLLIPGDGAT1ALPL
SCHEMBL1679479 0.83 LPL (0.48) SNCALPLLIPGDGAT1HIF1A
SCHEMBL12516561 0.83 SNCA (0.36) SNCALPLLIPGDGAT1HIF1A
SCHEMBL25222913 0.82 SNCA (0.47) SNCALPLLIPGDGAT1ALDH1A1
SCHEMBL30542263 0.82 SNCA (0.47) SNCALPLLIPGDGAT1ALDH1A1
SCHEMBL21730216 0.81 LPL (0.44) SNCALPLLIPGDGAT1HIF1A
SCHEMBL5780789 0.81 LPL (0.49) SNCALPLLIPGDGAT1HIF1A
SCHEMBL20392741 0.79 CYP1A2 (0.45) SNCALPLLIPGHIF1AALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
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
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
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 SNCA 4609/4885LPL 3505/4885LIPG 1808/4885

“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.