SCHEMBL25686644

SCHEMBL25686644

COS(=O)(=O)NC(C)(C)c1cc(C(O)(CNC(=O)OC(C)(C)C)C(F)(F)F)nc(-c2ccc(F)cc2)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.39
GRM2 Q14416 1/20 0.36
RORC P51449 1/20 0.34
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
GNRHR P30968 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MMP8 P22894 4/20 0.32
MMP3 P08254 2/20 0.32
LATS1 O95835 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
TRPV1 Q8NER1 3/20 0.32
MMP13 P45452 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30471176 0.91 CFTR (0.40) CFTRGRM2RORCFPR2SCN9A
SCHEMBL23958701 0.91 CFTR (0.40) CFTRGRM2RORCFPR2SCN9A
SCHEMBL23958697 0.86 CFTR (0.44) CFTRGRM2RORCFPR2SCN9A
SCHEMBL23958956 0.86 CFTR (0.41) CFTRGRM2RORCMMP8MMP3
SCHEMBL25686646 0.86 CFTR (0.37) CFTRCA12CA1CA2CA9
SCHEMBL23958691 0.84 CFTR (0.38) CFTRGRM2RORCSCN9AGNRHR
SCHEMBL25686536 0.82 CFTR (0.42) CFTRGRM2RORCSCN9AGNRHR
SCHEMBL23958952 0.80 CFTR (0.35) CFTRGRM2LATS1TRPV1
SCHEMBL30471272 0.77 GABRA5 (0.36) CFTRGRM2LATS1TRPV1
SCHEMBL25686690 0.77 GABRA5 (0.36) CFTRGRM2LATS1TRPV1

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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE CFTR 508/4885GRM2 3975/4885RORC 1072/4885

“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.