SCHEMBL990133

SCHEMBL990133

O=C(O)c1cc2c(s1)-c1cc(F)ccc1OC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 1.00
KDM4E B2RXH2 4/20 0.79
ALDH1A1 P00352 4/20 0.79
GAA P10253 4/20 0.79
L3MBTL1 Q9Y468 2/20 0.79
HPGD P15428 2/20 0.69
MAPK1 P28482 2/20 0.69
HSD17B10 Q99714 2/20 0.69
PIK3CA P42336 2/20 0.54
GLA P06280 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
ATM Q13315 1/20 0.53
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL20597636 0.89 NOTUM (0.81) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL20597377 0.88 NOTUM (0.79) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL988661 0.88 NOTUM (0.79) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL20597326 0.87 NOTUM (0.77) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL20597550 0.84 NOTUM (1.00) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL989468 0.84 NOTUM (0.72) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL12536026 0.84 NOTUM (0.72) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL20597467 0.83 NOTUM (0.81) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL989464 0.82 KDM4E (0.77) NOTUMKDM4EALDH1A1GAAL3MBTL1
SCHEMBL987936 0.82 ALDH1A1 (1.00) NOTUMKDM4EALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714675-B1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2019-01-02 EP disclosed
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
US-4797414-A Naphthothiophene derivatives and their use as respiratory enhancing agents ZYMA SA (CH) 1989-01-10 US disclosed
EP-0193493-A2 Tricyclic thieno derivatives, their preparation and pharmaceutical compositions containing them Zyma SA (CH) 1986-09-03 EP 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 1486/4885KDM4E 3381/4885ALDH1A1 4004/4885
US-20110130363-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD NOTUM 1486/4885KDM4E 3381/4885ALDH1A1 4004/4885
US-20090247567-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD NOTUM 1486/4885KDM4E 3381/4885ALDH1A1 4004/4885
US-20130123263-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD NOTUM 1259/4885KDM4E 3265/4885ALDH1A1 3707/4885

“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.