SCHEMBL25686646

SCHEMBL25686646

COS(=O)(=O)NC(C)(C)c1cc([C@@](O)(CN)C(F)(F)F)nc(-c2ccc(F)cc2)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PTGS2 P35354 7/20 0.34
PTGS1 P23219 2/20 0.34
LMNA P02545 2/20 0.34
TRPV1 Q8NER1 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TP53 P04637 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 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
SCHEMBL25686632 0.90 CFTR (0.38) CFTRCA12CA1CA2CA9
SCHEMBL25686633 0.90 CFTR (0.38) CFTRCA12CA1CA2CA9
SCHEMBL25686644 0.86 CFTR (0.39) CFTRCA12CA1CA2CA9
SCHEMBL23958881 0.83 CFTR (0.41) CFTRPTGS2PTGS1LMNATRPV1
SCHEMBL25686591 0.82 CFTR (0.39) CFTRPTGS2L3MBTL1CYP3A4CYP2C9
SCHEMBL30211264 0.82 CFTR (0.39) CFTRPTGS2L3MBTL1CYP3A4CYP2C9
SCHEMBL25686593 0.82 CFTR (0.39) CFTRPTGS2L3MBTL1CYP3A4CYP2C9
SCHEMBL30692531 0.82 CFTR (0.39) CFTRPTGS2L3MBTL1CYP3A4CYP2C9
SCHEMBL23958625 0.82 CFTR (0.39) CFTRPTGS2L3MBTL1CYP3A4CYP2C9
SCHEMBL23958770 0.81 CFTR (0.37) CFTRPTGS2PTGS1LMNATRPV1

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 508/4885CA12 2834/4885CA1 4415/4885

“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.