SCHEMBL190136

SCHEMBL190136

COc1ccc(COc2cc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
ALDH1A1 P00352 2/20 0.42
EGFR P00533 1/20 0.41
SNCA P37840 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
LPL P06858 4/20 0.40
LIPG Q9Y5X9 4/20 0.40
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
APP P05067 3/20 0.38
UCHL1 P09936 1/20 0.38
ABCB1 P08183 2/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL29362049 0.89 DGAT1 (0.46) DGAT1EGFRSNCALPLLIPG
SCHEMBL25179630 0.89 DGAT1 (0.46) DGAT1EGFRSNCALPLLIPG
SCHEMBL1516719 0.88 EGFR (0.48) DGAT1EGFRSNCALPLLIPG
SCHEMBL23484499 0.86 LPL (0.48) DGAT1EGFRLMNAPOLBLPL
SCHEMBL544572 0.86 DGAT1 (0.51) DGAT1EGFRLPLLIPGNPC1
SCHEMBL21054557 0.83 DGAT1 (0.43) DGAT1EGFRSNCALPLLIPG
SCHEMBL27345690 0.82 MEN1 (0.46) ALDH1A1EGFRLMNAPOLBLPL
SCHEMBL2267580 0.82 DGAT1 (0.56) DGAT1SNCAPOLBLPLLIPG
SCHEMBL27345687 0.81 MRGPRX4 (0.52) ALDH1A1EGFRKDM4ELMNAPOLB
SCHEMBL858457 0.80 CSF1R (0.45) EGFRSNCALPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 US disclosed
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2016-06-02 US disclosed
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-16 US disclosed
US-8802670-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2014-08-12 US disclosed
EP-2402347-A1 Pharmaceutical compounds F. Hoffmann-La Roche AG (CH) 2012-01-04 EP disclosed
EP-2041139-B1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-11-09 EP disclosed
EP-2041139-A2 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-01 EP disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 US disclosed
WO-2007127175-A2 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-08 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 (3 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-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIK3CA, PIK3CD, PIK3CB DGAT1 1107/4885ALDH1A1 2268/4885EGFR 1870/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 DGAT1 893/4885ALDH1A1 1974/4885EGFR 1205/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 DGAT1 893/4885ALDH1A1 1974/4885EGFR 1205/4885

“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.