SCHEMBL23958600

SCHEMBL23958600

C=C(c1cc(C(C)(C)NS(C)(=O)=O)c(Cl)c(-c2ccc(F)cc2)n1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.36
MAPK14 Q16539 4/20 0.33
CYP3A4 P08684 2/20 0.33
SCN9A Q15858 1/20 0.33
PTGS2 P35354 9/20 0.32
PTGS1 P23219 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
STAT3 P40763 1/20 0.32
STAT1 P42224 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TLR9 Q9NR96 1/20 0.32
NR3C1 P04150 1/20 0.32
AR P10275 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL25686626 0.89 CFTR (0.37) CFTRSCN9APTGS2PTGS1KDM4E
SCHEMBL23958629 0.82 PTGS2 (0.38) SCN9APTGS2PTGS1KDM4EMITF
SCHEMBL30007267 0.82 PTGS2 (0.38) SCN9APTGS2PTGS1KDM4EMITF
SCHEMBL23958839 0.82 CFTR (0.39) CFTRMAPK14SMN1; SMN2
SCHEMBL23958838 0.81 CFTR (0.36) CFTRSMN1; SMN2
SCHEMBL25686557 0.76 CFTR (0.37) CFTRSCN9APTGS2PTGS1KDM4E
SCHEMBL23958770 0.76 CFTR (0.37) CFTRSCN9APTGS2PTGS1KDM4E
SCHEMBL23958851 0.76 CFTR (0.37) CFTRSCN9APTGS2PTGS1KDM4E
SCHEMBL23958852 0.75 CFTR (0.35) CFTRMAPK14CYP3A4SCN9APTGS2
SCHEMBL28909129 0.75 TRPV1 (0.34) CFTRMAPK14CYP3A4SCN9APTGS2

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 CFTR 508/4885MAPK14 2142/4885CYP3A4 398/4885

“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.