SCHEMBL1695324

SCHEMBL1695324

C[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(F)c2cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 1/20 0.39
S1PR3 Q99500 1/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
TRPA1 O75762 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
SCN9A Q15858 3/20 0.38
CYP3A4 P08684 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 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
SCHEMBL1694904 1.00 MEN1 (0.40) MEN1NPC1GAARAB9AKMT2A
SCHEMBL1695142 0.88 ABCB1 (0.39) MEN1NPC1GAARAB9AKMT2A
SCHEMBL10146874 0.85 MAPT (0.39) KMT2APTPN1S1PR3MAPTATM
SCHEMBL1694878 0.85 MAPT (0.39) KMT2APTPN1S1PR3MAPTATM
SCHEMBL10147642 0.81 TSHR (0.40) MEN1GAAKMT2ACTSSCTSK
SCHEMBL1694635 0.81 TSHR (0.40) MEN1GAAKMT2ACTSSCTSK
SCHEMBL1694663 0.77 ACACB (0.42) MEN1NPC1GAARAB9AKMT2A
SCHEMBL28129300 0.77 KMT2A (0.53) MEN1NPC1GAARAB9AKMT2A
SCHEMBL14815597 0.76 CYP3A4 (0.37) MEN1NPC1GAARAB9AKMT2A
SCHEMBL14815596 0.76 CYP3A4 (0.37) MEN1NPC1GAARAB9AKMT2A

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 MEN1 1095/4885NPC1 4564/4885GAA 3510/4885

“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.