SCHEMBL1194437

SCHEMBL1194437

COC(=O)C(c1c(C)n(Cc2ccc(S(C)(=O)=O)cc2C(F)(F)F)c2ccccc12)c1c(C)n(Cc2ccc(S(C)(=O)=O)cc2C(F)(F)F)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.51
KIF11 P52732 4/20 0.41
CYP2C9 P11712 1/20 0.41
ELANE P08246 5/20 0.38
PPARG P37231 1/20 0.37
PARG Q86W56 1/20 0.36
RORC P51449 1/20 0.35
PLA2G4A P47712 1/20 0.35

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
SCHEMBL1190673 0.83 PTGDR2 (0.60) PTGDR2KIF11CYP2C9PPARG
SCHEMBL27728079 0.82 PTGDR2 (0.56) PTGDR2KIF11CYP2C9PPARG
SCHEMBL1191271 0.80 PTGDR2 (0.74) PTGDR2
SCHEMBL21695121 0.79 PTGDR2 (0.69) PTGDR2KIF11PPARG
SCHEMBL27748968 0.74 PTGDR2 (0.46) PTGDR2KIF11CYP2C9PPARG
SCHEMBL21632184 0.73 PTGDR2 (0.63) PTGDR2PPARG
SCHEMBL1190574 0.72 PTGDR2 (0.53) PTGDR2CYP2C9
SCHEMBL21632133 0.72 PTGDR2 (0.72) PTGDR2PPARG
SCHEMBL1940778 0.71 PTGDR2 (0.82) PTGDR2
SCHEMBL27748967 0.71 PTGDR2 (0.49) PTGDR2

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-7888383-B2 Organic compounds NOVARTIS AG (CH) 2011-02-15 US disclosed
US-20090221578-A1 Organic Compounds NOVARTIS AG (CH) 2009-09-03 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-20090221578-A1 Organic Compounds DRD4, RDX, DRD1 PTGDR2 618/4885KIF11 2391/4885CYP2C9 29/4885

“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.