SCHEMBL1909736

SCHEMBL1909736

Cc1csc(-n2cnn(Cc3ccc(C(F)(F)F)cc3)c2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.51
PPARA Q07869 16/20 0.51
PPARG P37231 12/20 0.49
SCD O00767 3/20 0.45
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43

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
SCHEMBL1909733 0.87 SCD (0.52) PPARDPPARAPPARGSCDPKM
SCHEMBL1909734 0.84 ROCK2 (0.45) PPARDPPARAPPARGSCDPKM
SCHEMBL1909737 0.82 PPARA (0.47) PPARDPPARAPPARGSCDPKM
SCHEMBL242950 0.78 PPARD (0.55) PPARDPPARAPPARGSCD
SCHEMBL27837939 0.75 SCD (0.61) PPARDPPARAPPARGSCD
SCHEMBL245289 0.74 PPARD (0.51) PPARDPPARAPPARGSCD
SCHEMBL5906346 0.73 PPARD (0.64) PPARDPPARAPPARG
SCHEMBL1909735 0.71 DRD2 (0.31) SCD
SCHEMBL245267 0.71 SCD (0.68) PPARDPPARAPPARGSCD
SCHEMBL7944039 0.70 PPARD (0.55) PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 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 (1 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-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 PPARD 33/4885PPARA 51/4885PPARG 28/4885

“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.