SCHEMBL987868

SCHEMBL987868

CC(=O)OCC(C)NC(=O)c1cc2c(s1)-c1ccccc1OCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.61
PIK3CA P42336 8/20 0.52
PIK3CB P42338 3/20 0.52
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 3/20 0.48
HPGD P15428 3/20 0.48
GLA P06280 2/20 0.48
MAPK1 P28482 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 9/20 0.46
POLB P06746 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
THRB P10828 1/20 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
SCHEMBL990843 0.91 NOTUM (0.62) NOTUMPIK3CAPIK3CBKDM4EALDH1A1
SCHEMBL989700 0.81 NOTUM (0.64) NOTUMPIK3CAPIK3CBKDM4EALDH1A1
SCHEMBL12719328 0.78 NOTUM (0.78) NOTUMPIK3CAPIK3CBKDM4EALDH1A1
SCHEMBL989730 0.77 NOTUM (1.00) NOTUMPIK3CAPIK3CBKDM4EALDH1A1
SCHEMBL991022 0.76 NOTUM (0.70) NOTUMPIK3CAPIK3CBKDM4EALDH1A1
SCHEMBL989075 0.75 MAPT (0.67) NOTUMPIK3CAPIK3CBKDM4EALDH1A1
SCHEMBL990557 0.75 NOTUM (0.80) NOTUMPIK3CAPIK3CBKDM4EALDH1A1
SCHEMBL989543 0.74 NOTUM (0.52) NOTUMPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL991058 0.74 NOTUM (0.78) NOTUMPIK3CAPIK3CBKDM4EALDH1A1
SCHEMBL989710 0.72 PIK3CA (0.69) PIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309265-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-04-12 US disclosed
US-20140336154-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE HOFFMANN-LA ROCHE INC. 2014-11-13 US disclosed
US-8846762-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-09-30 US disclosed
EP-2276767-B1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-05-07 EP disclosed
US-20130123263-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN - LA ROCHE AG (CH) 2013-05-16 US disclosed
US-8399690-B2 4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene compounds GENENTECH, INC. (US) 2013-03-19 US disclosed
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-06-02 US disclosed
US-7928248-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2011-04-19 US disclosed
EP-2276767-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-01-26 EP disclosed
WO-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-01 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 (4 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-20140336154-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD NOTUM 1486/4885PIK3CA 1/4885PIK3CB 9/4885
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD NOTUM 1486/4885PIK3CA 1/4885PIK3CB 9/4885
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD NOTUM 1486/4885PIK3CA 1/4885PIK3CB 9/4885
US-20130123263-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD NOTUM 1259/4885PIK3CA 1/4885PIK3CB 9/4885

“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.