SCHEMBL3206263

SCHEMBL3206263

CC(C)c1nn(-c2ccc(C(F)(F)F)cc2)cc1CCl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
CASR P41180 5/20 0.38
KCNH2 Q12809 2/20 0.38
SRC P12931 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
TRPA1 O75762 4/20 0.37
BRD4 O60885 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AADAT Q8N5Z0 1/20 0.34
PTGES O14684 1/20 0.34
PTGS2 P35354 1/20 0.34
CTSS P25774 1/20 0.34
RORC P51449 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
SCHEMBL4100527 0.86 NOTUM (0.49) NOTUMCASRKCNH2SRCBRAF
SCHEMBL6034578 0.82 TLR8 (0.44) NOTUMCASRKCNH2SRCBRAF
SCHEMBL5004852 0.81 CTSS (0.44) NOTUMCASRKCNH2SRCBRAF
SCHEMBL5904591 0.76 PDE2A (0.41) NOTUMCASRKCNH2SRCBRAF
SCHEMBL6035573 0.75 DDX3X (0.41) TRPA1
SCHEMBL6035925 0.75 PTGS2 (0.40) NOTUMCASRKCNH2SRCBRAF
SCHEMBL5904618 0.75 NOTUM (0.40) NOTUMCASRKCNH2SRCBRAF
SCHEMBL6157506 0.75 CA12 (0.40) KCNH2SRCPTGES
SCHEMBL17814158 0.74 CTSS (0.47) NOTUMCASRKCNH2SRCBRAF
SCHEMBL19807675 0.73 TRPA1 (0.46) NOTUMCASRKCNH2SRCBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029949-A1 Activator for Peroxisome Proliferator Activated Receptor NIPPON CHEMIPHAR CO., LTD. (JP) 2010-02-04 US disclosed
US-20090240058-A1 Activator for Peroxisome Proliferator-Activating Receptor Delta NIPPON CHEMIPHAR CO., LTD. (JP) 2009-09-24 US disclosed
EP-1916247-A1 ACTIVATOR OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2008-04-30 EP disclosed
EP-1854784-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR ACTIVATING RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2007-11-14 EP 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 (2 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-20100029949-A1 Activator for Peroxisome Proliferator Activated Receptor PPARA, PPARG, PPARD NOTUM 1392/4885CASR 1970/4885KCNH2 2421/4885
US-20090240058-A1 Activator for Peroxisome Proliferator-Activating Receptor Delta PPARG, PPARA, PPARD NOTUM 2197/4885CASR 1873/4885KCNH2 2226/4885

“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.