SCHEMBL8004810

SCHEMBL8004810

COC(=O)c1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.46
DGAT1 O75907 1/20 0.44
HIF1A Q16665 3/20 0.42
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
USP30 Q70CQ3 1/20 0.40
MAPK1 P28482 1/20 0.38
LIPE Q05469 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SNCA P37840 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
PDE5A O76074 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL28410064 0.85 HIF1A (0.43) DGAT1HIF1ALPLLIPGGSK3A
SCHEMBL30135556 0.81 DGAT1 (0.55) DGAT1HIF1ALPLLIPGUSP30
SCHEMBL1083587 0.81 DGAT1 (0.55) DGAT1HIF1ALPLLIPGUSP30
SCHEMBL1623079 0.80 PTPN11 (0.47) LCKDGAT1HIF1ALPLLIPG
SCHEMBL29792056 0.80 DGAT1 (0.43) LCKDGAT1HIF1AMAPK1GSK3A
SCHEMBL883634 0.80 DGAT1 (0.43) LCKDGAT1HIF1AMAPK1GSK3A
SCHEMBL29750908 0.80 PTPN11 (0.47) LCKDGAT1HIF1ALPLLIPG
SCHEMBL20214716 0.79 HIF1A (0.44) DGAT1HIF1ALPLLIPGIRAK4
SCHEMBL15897022 0.79 LIPG (0.57) HIF1ALPLLIPGCA1CA2
SCHEMBL17071940 0.77 DGAT1 (0.40) DGAT1HIF1ALPLLIPGMAPK1

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
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 LCK 2031/4885DGAT1 1259/4885HIF1A 188/4885

“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.