SCHEMBL25686758

SCHEMBL25686758

CC(C)(C)OC(=O)NCC(O)(c1nc(-c2ccc(F)cc2)c(F)c(C(C)(C)O)c1F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.40
GRM2 Q14416 1/20 0.38
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
LATS1 O95835 2/20 0.34
LATS2 Q9NRM7 1/20 0.34
SCN9A Q15858 3/20 0.34
CKS1B P61024 2/20 0.34
SKP1 P63208 2/20 0.34
SKP2 Q13309 2/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
S1PR1 P21453 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
RORC P51449 1/20 0.33
BRD4 O60885 1/20 0.32
GABRA5 P31644 1/20 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
SCHEMBL25686876 0.92 CFTR (0.38) CFTRGRM2POLBGAALATS1
SCHEMBL30471312 0.92 CFTR (0.41) CFTRGRM2POLBGAALATS1
SCHEMBL25686800 0.92 CFTR (0.41) CFTRGRM2POLBGAALATS1
SCHEMBL25686728 0.90 CFTR (0.41) CFTRGRM2POLBGAALATS1
SCHEMBL25232562 0.89 CFTR (0.37) CFTRGRM2POLBGAALATS1
SCHEMBL25686805 0.89 CFTR (0.37) CFTRGRM2POLBGAALATS1
SCHEMBL25686835 0.88 CFTR (0.36) CFTRGRM2POLBGAALATS1
SCHEMBL30471248 0.83 MEN1 (0.40) CFTRGRM2CKS1BSKP1SKP2
SCHEMBL25686794 0.83 MEN1 (0.40) CFTRGRM2CKS1BSKP1SKP2
SCHEMBL30471340 0.83 GRM2 (0.37) CFTRGRM2POLBGAALATS1

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 3975/4885POLB 1143/4885

“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.