SCHEMBL20549367

SCHEMBL20549367

CC(CSc1c(N)c(C(=O)O)cc(F)c1Br)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 10/20 0.38
TRPA1 O75762 1/20 0.33
PPARG P37231 3/20 0.32
PPARA Q07869 2/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL20549365 1.00 AAK1 (0.38) AAK1TRPA1PPARGPPARACTSS
SCHEMBL20549464 0.88 AAK1 (0.38) AAK1TRPA1PPARGPPARACTSS
SCHEMBL20549465 0.88 AAK1 (0.38) AAK1TRPA1PPARGPPARACTSS
SCHEMBL20549488 0.71 AAK1 (0.38) AAK1TRPA1CTSK
SCHEMBL9404273 0.70 MTNR1A (0.64) PPARGPPARACTSSCTSKMTNR1A
SCHEMBL8910228 0.70 MTNR1A (0.64) PPARGPPARACTSSCTSKMTNR1A
SCHEMBL20471936 0.67 AAK1 (0.49) AAK1TRPA1CTSK
SCHEMBL20549533 0.66 MAOA (0.37)
SCHEMBL20549530 0.66 MAOA (0.37)
SCHEMBL17041316 0.66 AAK1 (0.48) AAK1TRPA1CTSKTSHR

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-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-11-08 US disclosed
WO-2018203302-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS NOVARTIS AG (CH) 2018-11-08 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 (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-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS TOP1, TOP2A, TOP2B AAK1 4067/4885TRPA1 4156/4885PPARG 2746/4885

“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.