SCHEMBL4100527

SCHEMBL4100527

CC(C)c1nn(-c2ccc(C(F)(F)F)cc2)cc1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
SRC P12931 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
TRPA1 O75762 2/20 0.39
SCN9A Q15858 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CASR P41180 4/20 0.38
ADORA3 P0DMS8 2/20 0.38
KCNH2 Q12809 1/20 0.38
PTGES O14684 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 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
SCHEMBL19807431 0.87 NOTUM (0.50) NOTUMSRCBRAFKDRTRPA1
SCHEMBL6034578 0.87 TLR8 (0.44) NOTUMSRCBRAFKDRTRPA1
SCHEMBL3206263 0.86 NOTUM (0.40) NOTUMSRCBRAFKDRTRPA1
SCHEMBL6035221 0.82 CNR1 (0.40) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL5001181 0.81 NOTUM (0.52) NOTUMSRCBRAFKDRTRPA1
SCHEMBL16634906 0.81 TRPA1 (0.49) NOTUMSRCBRAFKDRTRPA1
SCHEMBL5904636 0.80 NOTUM (0.51) NOTUMSRCBRAFKDRTRPA1
SCHEMBL5904591 0.79 PDE2A (0.41) NOTUMSRCBRAFKDRTRPA1
SCHEMBL6035573 0.78 DDX3X (0.41) TRPA1ALDH1A1NPC1RAB9AMLYCD
SCHEMBL5904618 0.78 NOTUM (0.40) NOTUMSRCBRAFKDRTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090240058-A1 Activator for Peroxisome Proliferator-Activating Receptor Delta NIPPON CHEMIPHAR CO., LTD. (JP) 2009-09-24 US disclosed
EP-1854784-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR ACTIVATING RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2007-11-14 EP disclosed
US-20060241157-A1 Heterocyclic ppar modulators ELI LILLY AND COMPANY 2006-10-26 US disclosed
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1585733-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2004063166-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 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 (3 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 NOTUM 1167/4885SRC 886/4885BRAF 2227/4885
US-20060241157-A1 Heterocyclic ppar modulators PPARA, PPARG, PPARD NOTUM 274/4885SRC 3433/4885BRAF 4505/4885
US-20090240058-A1 Activator for Peroxisome Proliferator-Activating Receptor Delta PPARG, PPARA, PPARD NOTUM 2197/4885SRC 1850/4885BRAF 3012/4885

“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.