SCHEMBL23958803

SCHEMBL23958803

COc1cc(C(=O)NCC(O)(c2nc(-c3ccc(F)cc3)cc(C(C)(C)O)c2F)C(F)(F)F)cc2cc(C)nnc12

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.36
CFTR P13569 3/20 0.36
CNR2 P34972 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NR3C1 P04150 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RIPK1 Q13546 2/20 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
SCHEMBL25687420 1.00 SCN9A (0.36) SCN9ACFTRCNR2ALDH1A1L3MBTL1
SCHEMBL25687417 1.00 SCN9A (0.36) SCN9ACFTRCNR2ALDH1A1L3MBTL1
SCHEMBL25697280 0.87 CFTR (0.31) CFTR
SCHEMBL25697265 0.87 CFTR (0.31) CFTR
SCHEMBL25687518 0.87 CFTR (0.40) SCN9ACFTRCNR2NR3C1
SCHEMBL25687377 0.87 SCN9A (0.38) SCN9ACFTRALDH1A1L3MBTL1HPGD
SCHEMBL30211296 0.87 CFTR (0.40) SCN9ACFTRCNR2NR3C1
SCHEMBL25686197 0.87 CFTR (0.40) SCN9ACFTRCNR2NR3C1
SCHEMBL30007228 0.87 CFTR (0.38) CFTRCNR2NR3C1
SCHEMBL25235693 0.87 CFTR (0.38) CFTRCNR2NR3C1

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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE SCN9A 3046/4885CFTR 508/4885CNR2 646/4885

“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.