SCHEMBL20549477

SCHEMBL20549477

COC(=O)c1cc(F)c(Br)c(CCC(C)NC(=O)OC(C)(C)C)c1I

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.38
AAK1 Q2M2I8 8/20 0.38
TRPA1 O75762 1/20 0.33
CTSK P43235 2/20 0.32
POLB P06746 1/20 0.31
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CTSS P25774 2/20 0.31
SERPINE1 P05121 1/20 0.30
ATR Q13535 1/20 0.30

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
SCHEMBL20549488 0.88 AAK1 (0.38) AAK1TRPA1CTSKCA2CA1
Hydrochloric Acid SCHEMBL20549472 0.79 SOS1 (0.41) SOS1
SCHEMBL19195364 0.73 SOS1 (0.48) SOS1CA2CA1CA7
SCHEMBL17494449 0.73 SOS1 (0.48) SOS1CA2CA1CA7
SCHEMBL30786853 0.73 CTSS (0.40) AAK1TRPA1CTSKPOLBCTSS
SCHEMBL24610138 0.71 AAK1 (0.48) SOS1AAK1TRPA1CA2CA1
SCHEMBL29765098 0.71 AAK1 (0.48) SOS1AAK1TRPA1CA2CA1
SCHEMBL20549465 0.71 AAK1 (0.38) AAK1TRPA1CTSKPOLBCTSS
SCHEMBL20549464 0.71 AAK1 (0.38) AAK1TRPA1CTSKPOLBCTSS
SCHEMBL17494435 0.70 SOS1 (0.43) SOS1POLB

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 SOS1 3414/4885AAK1 4067/4885TRPA1 4156/4885

“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.