SCHEMBL10166473

SCHEMBL10166473

CCOc1cc(CC)cc(Br)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALPG P10696 2/20 0.43
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
TSHR P16473 2/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL20399497 0.86 PTGS2 (0.45) IGF1RHSD17B10KDM4EMAPK1POLB
SCHEMBL13209836 0.86 IGF1R (0.45) IGF1RHSD17B10KDM4EMAPK1POLB
SCHEMBL12766044 0.83 PTGS2 (0.60) HSD17B10KDM4EMAPK1POLBMEN1
SCHEMBL20399726 0.82 TRPA1 (0.43) HSD17B10KDM4EMEN1KMT2ATSHR
SCHEMBL1250655 0.80 TSHR (0.50) HSD17B10MEN1KMT2ATSHRMAPT
SCHEMBL19732196 0.79 HSD17B10 (0.48) IGF1RHSD17B10KDM4EMAPK1POLB
SCHEMBL16330250 0.79 LMNA (0.41) HSD17B10TSHRMAPTGAATP53
SCHEMBL23921372 0.78 TRPV1 (0.39) KDM4ETSHRTP53THRBALDH1A1
SCHEMBL14178749 0.78 PTGS2 (0.42) IGF1RKDM4EPOLBMEN1KMT2A
SCHEMBL6833641 0.76 TRPV1 (0.37) IGF1RPOLBALPGMAPTTHRB

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 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-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
US-20120270886-A1 INHIBITORS OF IAP KOEHLER MICHAEL F T (US) 2012-10-25 US disclosed
US-8247557-B2 IAP inhibitors GENENTECH, INC. (US) 2012-08-21 US disclosed
US-8247557-B2 IAP inhibitors GENENTECH, INC. (US) 2012-08-21 US disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
WO-2008134679-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2008-11-06 WO disclosed
US-20080146808-A1 AZABICYCLO-OCTANE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-06-19 US disclosed
US-20080146808-A1 AZABICYCLO-OCTANE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-06-19 US disclosed
US-7345081-B2 Azabicyclo-octane inhibitors of IAP GENENTECH, INC. (US) 2008-03-18 US disclosed
US-7345081-B2 Azabicyclo-octane inhibitors of IAP GENENTECH, INC. (US) 2008-03-18 US 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
WO-2007106192-A2 INHIBITORS OF IAP GENENTECH, INC. (US) 2007-09-20 WO 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 (5 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-20080146808-A1 AZABICYCLO-OCTANE INHIBITORS OF IAP XIAP, BIRC3, BIRC2 IGF1R 267/4885HSD17B10 2850/4885KDM4E 3366/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 IGF1R 186/4885HSD17B10 4717/4885KDM4E 2538/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 IGF1R 186/4885HSD17B10 4717/4885KDM4E 2538/4885
US-20120270886-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 IGF1R 465/4885HSD17B10 4764/4885KDM4E 2296/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 IGF1R 480/4885HSD17B10 4793/4885KDM4E 1788/4885

“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.