SCHEMBL116795

SCHEMBL116795

CC(CO)c1ccc(F)nc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.39
FOLH1 Q04609 1/20 0.37
EPHX2 P34913 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
MAPK1 P28482 1/20 0.33
TRPA1 O75762 2/20 0.32
P2RX7 Q99572 2/20 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
SCHEMBL12891858 0.82 ALDH1A1 (0.39) FOLH1
SCHEMBL7923259 0.82 ALDH1A1 (0.39) FOLH1
SCHEMBL3557558 0.80 EPHX2 (0.39) FOLH1EPHX2CYP3A4CYP2A6CYP2B6
SCHEMBL19853056 0.79 FOLH1 (0.39) FOLH1EPHX2ESR1ESR2CYP3A4
SCHEMBL10104625 0.78 ADRB2 (0.41) FOLH1CYP3A4CYP2A6CYP2B6CYP2C19
SCHEMBL115262 0.78 CYP2A6 (0.38) FOLH1CYP3A4CYP2A6CYP2B6CYP2C19
SCHEMBL595307 0.78 ADRB2 (0.41) FOLH1CYP3A4CYP2A6CYP2B6CYP2C19
SCHEMBL4342752 0.78 ADRB2 (0.41) FOLH1CYP3A4CYP2A6CYP2B6CYP2C19
SCHEMBL29790356 0.78 CYP2A6 (0.38) FOLH1CYP3A4CYP2A6CYP2B6CYP2C19
SCHEMBL30144069 0.77 CYP2A6 (0.36) FOLH1CYP3A4CYP2A6CYP2B6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD ABCB11 474/4885FOLH1 4334/4885EPHX2 4809/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD ABCB11 474/4885FOLH1 4334/4885EPHX2 4809/4885

“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.