SCHEMBL10166817

SCHEMBL10166817

C=CCC[C@H](N=C(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.70
CTSK P43235 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
BTN3A1 O00481 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 1/20 0.33
SLC7A5 Q01650 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL894847 1.00 AAK1 (0.70) AAK1CTSKMAPTALDH1A1HPGD
SCHEMBL12564392 0.93 AAK1 (0.67) AAK1CTSKMAPTALDH1A1HPGD
SCHEMBL22754552 0.87 AAK1 (0.65) AAK1CTSKMAPTALDH1A1HPGD
SCHEMBL22754553 0.87 AAK1 (0.65) AAK1CTSKMAPTALDH1A1HPGD
SCHEMBL22754571 0.87 AAK1 (0.65) AAK1CTSKMAPTALDH1A1HPGD
SCHEMBL7401142 0.86 AAK1 (0.50) AAK1MAPTALDH1A1KMT2AMEN1
SCHEMBL1876173 0.86 AAK1 (0.50) AAK1MAPTALDH1A1KMT2AMEN1
SCHEMBL11938939 0.84 AAK1 (0.76) AAK1CTSKMAPTALDH1A1BTN3A1
SCHEMBL16116863 0.84 AAK1 (0.76) AAK1CTSKALDH1A1KMT2AMEN1
SCHEMBL20978531 0.84 AAK1 (0.71) AAK1CTSKALDH1A1KMT2AMEN1

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 18 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
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP 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 AAK1 1755/4885CTSK 1380/4885MAPT 2814/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 AAK1 937/4885CTSK 1465/4885MAPT 2274/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 AAK1 937/4885CTSK 1465/4885MAPT 2274/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 AAK1 937/4885CTSK 1465/4885MAPT 2274/4885

“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.