SCHEMBL1694663

SCHEMBL1694663

CC(C)(C)OC(=O)NCc1nc2cccc(F)c2cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.42
ACACA Q13085 6/20 0.42
KDM4A O75164 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
BCHE P06276 1/20 0.41
NQO2 P16083 1/20 0.41
SCN9A Q15858 2/20 0.41
GRM2 Q14416 1/20 0.41
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CYP3A4 P08684 2/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CYP1A2 P05177 2/20 0.38
PARP1 P09874 1/20 0.38
CYP2C9 P11712 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL14827191 0.92 ACACB (0.42) ACACBACACAKDM4AMEN1KMT2A
SCHEMBL1694905 0.90 NQO2 (0.47) ACACBACACAMEN1KMT2ANPC1
SCHEMBL1695345 0.89 SMN1; SMN2 (0.42) ACACBACACAKDM4AMEN1KMT2A
SCHEMBL10147609 0.89 PARP1 (0.41) ACACBACACAKDM4AMEN1KMT2A
SCHEMBL14827179 0.84 KDM4A (0.50) ACACBACACAKDM4AMEN1KMT2A
SCHEMBL10147613 0.81 KDM4A (0.38) ACACBACACAKDM4AMEN1KMT2A
SCHEMBL1695324 0.77 MEN1 (0.40) ACACBACACAMEN1KMT2ANPC1
SCHEMBL1694904 0.77 MEN1 (0.40) ACACBACACAMEN1KMT2ANPC1
SCHEMBL1694879 0.75 NQO2 (0.47) KDM4AGAABCHENQO2SCN9A
SCHEMBL14827178 0.74 KDM4A (0.50) ACACBACACAKDM4AMEN1KMT2A

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 ACACB 2038/4885ACACA 2498/4885KDM4A 1650/4885

“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.