SCHEMBL1695142

SCHEMBL1695142

CCOC(=O)c1cc2c(F)cccc2nc1[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 4/20 0.38
PTPN1 P18031 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
CCR6 P51684 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1695324 0.88 MEN1 (0.40) PTPN1NPSR1MAPTCYP3A4SCN9A
SCHEMBL1694904 0.88 MEN1 (0.40) PTPN1NPSR1MAPTCYP3A4SCN9A
SCHEMBL10146887 0.85 ABCB1 (0.39) ABCB1SMN1; SMN2PTPN1NPSR1CCR6
SCHEMBL1694817 0.85 ABCB1 (0.39) ABCB1SMN1; SMN2PTPN1NPSR1CCR6
SCHEMBL10146918 0.82 TSHR (0.57) ABCB1KDM4EALDH1A1HPGD
SCHEMBL1695345 0.80 SMN1; SMN2 (0.42) SMN1; SMN2KDM4ENPSR1MEN1NPC1
SCHEMBL10147129 0.78 MAPT (0.40) ABCB1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL24950821 0.75 TSHR (0.60) SMN1; SMN2KDM4ENPSR1MEN1NPC1
SCHEMBL31133620 0.75 TSHR (0.60) SMN1; SMN2KDM4ENPSR1MEN1NPC1
SCHEMBL31345661 0.74 CCR6 (0.46) SMN1; SMN2KDM4ENPSR1MAPTCCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588467-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
WO-2012003274-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003274-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 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 (1 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-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, BCL9 ABCB1 757/4885SMN1; SMN2 411/4885KDM4E 1440/4885

“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.