SCHEMBL9983036

SCHEMBL9983036

CC(C(N)=O)N(C)c1cnc(-c2ccc(F)cc2)n(CCOC2Cc3ccccc3C2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.36
ELANE P08246 13/20 0.35
FPR2 P25090 1/20 0.35
SCN9A Q15858 1/20 0.35
CMA1 P23946 4/20 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
SCHEMBL9982962 0.83 MAPK1 (0.36) ELANEFPR2SCN9A
SCHEMBL2211147 0.79 ELANE (0.43) PPARDELANE
SCHEMBL2211151 0.79 ELANE (0.43) PPARDELANE
SCHEMBL9983344 0.77 CMA1 (0.39) PPARDELANECMA1
SCHEMBL14174347 0.77 ELANE (0.42) ELANE
SCHEMBL9983132 0.75 ALDH1A1 (0.46) ELANECMA1
SCHEMBL2209205 0.70 XIAP (0.38)
SCHEMBL2209197 0.70 XIAP (0.38)
SCHEMBL9983017 0.65 GPBAR1 (0.34) FPR2SCN9A
SCHEMBL2209206 0.58 ELANE (0.47) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 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-20110319614-A1 Organic Compounds XIAP, BIRC5, BIRC3 PPARD 4530/4885ELANE 592/4885FPR2 3106/4885

“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.