SCHEMBL10166818

SCHEMBL10166818

C=CCC[C@H](N)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
SLC7A5 Q01650 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 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
SCHEMBL6883354 0.87 MAPT (0.44) LTA4HNOS1NOS3NOS2SMN1; SMN2
SCHEMBL1952608 0.87 MAPT (0.44) LTA4HNOS1NOS3NOS2SMN1; SMN2
SCHEMBL1952607 0.87 MAPT (0.44) LTA4HNOS1NOS3NOS2SMN1; SMN2
SCHEMBL5738425 0.84 NOS1 (0.37) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL15888373 0.84 NOS1 (0.37) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL27894935 0.83 PLA2G2C (0.31) SMN1; SMN2USP2CYP3A4MAPTALDH1A1
SCHEMBL27894936 0.83 PLA2G2C (0.31) SMN1; SMN2USP2CYP3A4MAPTALDH1A1
SCHEMBL3294154 0.82 NOS1 (0.42) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL11066540 0.81 LMNA (0.35) NOS1NOS3NOS2SMN1; SMN2USP2
SCHEMBL10299847 0.81 GRIK1 (0.39) LTA4HNOS1NOS3NOS2SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8835393-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-09-16 US disclosed
US-8835393-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-09-16 US disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-20110269696-A1 INHIBITORS OF IAPS GENENTECH INC. (US) 2011-11-03 US disclosed
US-20110269696-A1 INHIBITORS OF IAPS GENENTECH INC. (US) 2011-11-03 US disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
WO-2010017035-A2 INHIBITORS OF IAP GENENTECH, INC. (US) 2010-02-11 WO disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 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 (4 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-20110269696-A1 INHIBITORS OF IAPS XIAP, BIRC5, BIRC3 LTA4H 3675/4885NOS1 3452/4885NOS3 2999/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 LTA4H 3753/4885NOS1 3433/4885NOS3 3831/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 LTA4H 3753/4885NOS1 3433/4885NOS3 3831/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 LTA4H 3753/4885NOS1 3433/4885NOS3 3831/4885

“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.