SCHEMBL114972

SCHEMBL114972

CSc1ccc(C(C)c2cnc(F)c(B(O)O)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
SLC6A4 P31645 1/20 0.31
ACACB O00763 1/20 0.30
ESR1 P03372 1/20 0.30
PDCD1 Q15116 1/20 0.30
ESR2 Q92731 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL114282 0.74 SLC6A4 (0.37) AKR1C3AKR1C2SLC6A4ACACBESR1
SCHEMBL114973 0.73 MMP12 (0.35) SLC6A4
SCHEMBL114587 0.73 SLC6A4 (0.34) SLC6A4
SCHEMBL14473162 0.71 ESR1 (0.41) AKR1C3AKR1C2SLC6A4ACACBESR1
SCHEMBL12204725 0.65 ALDH1A1 (0.40) SLC6A4ACACB
SCHEMBL3576871 0.64 AGBL2 (0.35)
SCHEMBL29955213 0.64 AGBL2 (0.35)
SCHEMBL4668613 0.64 ALDH1A1 (0.50) AKR1C3AKR1C2SLC6A4ESR1PDCD1
SCHEMBL116107 0.64 ALOX5 (0.37) AKR1C3AKR1C2SLC6A4ACACB
SCHEMBL115668 0.64 PIK3CA (0.38)

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 AKR1C3 2594/4885AKR1C2 2667/4885SLC6A4 2196/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD AKR1C3 2594/4885AKR1C2 2667/4885SLC6A4 2196/4885

“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.