SCHEMBL1010694

SCHEMBL1010694

NC(=O)c1ccccc1C(O)[CH]CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
METAP2 P50579 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.35
CTNNB1 P35222 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL13517125 1.00 BCAT2 (0.42) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL7197042 0.79 KDM4E (0.44) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL3658524 0.76 KDM4E (0.46) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL2762810 0.76 KDM4E (0.46) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL13723957 0.74 BCAT2 (0.47) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL5134567 0.74 KDM4E (0.50) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL31400625 0.72 IRAK4 (0.52) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL305563 0.72 IRAK4 (0.52) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL11503111 0.71 KDM4E (0.44) BCAT2KDM4EALDH1A1HPGDMAPT
SCHEMBL3380036 0.71 IRAK4 (0.47) BCAT2KDM4EALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268273-B1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON PHARMACEUTICALS INC (US) 2017-06-28 EP claimed
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 EP claimed
EP-1986622-B1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORP (US) 2013-10-02 EP claimed
US-7772266-B2 treating or preventing benign prostatic hyperplasia, enlarged prostate, acute urinary retention with 2-Isopropyl-5-methyl-cyclohexanecarboxylic acid (2-amino-2-phenyl-ethyl)-amide; agonists or antagonists of a transient receptor potential proteins; anticarcinogenic agent DENDREON CORPORATION (US) 2010-08-10 US claimed
US-7741355-B2 Small-molecule modulators of TRP-p8 activity DENDREON CORPORATION (US) 2010-06-22 US claimed
WO-2009067410-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2009-05-28 WO claimed
EP-1986622-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-11-05 EP claimed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 US claimed
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 US claimed
WO-2007095340-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2007-08-23 WO claimed
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 US claimed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP claimed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US claimed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 WO claimed
EP-2268273-B1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON PHARMACEUTICALS INC (US) 2017-06-28 EP disclosed
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 EP disclosed
US-8618155-B2 Small-molecule modulators of Trp-p8 activity DENDREON CORPORATION (US) 2013-12-31 US disclosed
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-11-18 US disclosed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP disclosed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 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 (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-20070232603-A1 Small-molecule modulators of TRP-P8 activity TRPC4, TRPC3, TRPC1 BCAT2 4624/4885KDM4E 3912/4885ALDH1A1 4789/4885
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 BCAT2 4624/4885KDM4E 3912/4885ALDH1A1 4789/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 BCAT2 1108/4885KDM4E 3549/4885ALDH1A1 2909/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 BCAT2 1108/4885KDM4E 3549/4885ALDH1A1 2909/4885

“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.