SCHEMBL17037852

SCHEMBL17037852

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(F)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.37
PDK2 Q15119 2/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
DGAT1 O75907 1/20 0.34
ABL1 P00519 1/20 0.33
HIF1A Q16665 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
EGFR P00533 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL26630556 0.86 ROCK1 (0.38) ROCK1LPLLIPGDGAT1HIF1A
SCHEMBL17099424 0.86 AAK1 (0.38) PDK2DGAT1ABL1HIF1ACA1
SCHEMBL27096456 0.85 PTGS2 (0.39) PDK2DGAT1ABL1HIF1ACA1
SCHEMBL30673248 0.85 ROCK1 (0.37) ROCK1LPLLIPGDGAT1HIF1A
SCHEMBL26928552 0.85 ROCK1 (0.37) ROCK1LPLLIPGDGAT1HIF1A
SCHEMBL27433795 0.85 ROCK1 (0.37) ROCK1LPLLIPGDGAT1HIF1A
SCHEMBL16962901 0.85 ROCK1 (0.39) ROCK1LPLLIPGCA1CA2
SCHEMBL29155208 0.84 ROCK1 (0.37) ROCK1LPLLIPGDGAT1HIF1A
SCHEMBL515152 0.81 ROCK1 (0.40) ROCK1LPLLIPGDGAT1HIF1A
SCHEMBL6892735 0.81 ROCK1 (0.37) ROCK1LPLLIPGDGAT1HIF1A

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-20170152239-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2017-06-01 US disclosed
US-20170152239-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2017-06-01 US disclosed
US-20150239842-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2015-08-27 US disclosed
US-20150239842-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS PFIZER INC. (US) 2015-08-27 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-20150239842-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS HRH2, H1-0, H1-2 ROCK1 3899/4885PDK2 1375/4885LPL 3857/4885
US-20170152239-A1 BENZAMIDE AND HETEROBENZAMIDE COMPOUNDS HRH2, HRH4, H1-0 ROCK1 3967/4885PDK2 1460/4885LPL 3859/4885

“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.