SCHEMBL25686191

SCHEMBL25686191

COc1cc(C(=O)NC[C@](O)(c2nc(-c3ccc(F)cc3)c(F)c(C(C)(C)O)c2F)C(F)(F)F)cc2cc(C)cnc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.37
GABRA5 P31644 3/20 0.35
NR3C1 P04150 1/20 0.34
RIPK1 Q13546 2/20 0.33
MAPT P10636 1/20 0.33
ULK1 O75385 1/20 0.33
PTGFR P43088 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGDS O60760 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NR1I2 O75469 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
SCHEMBL30007175 1.00 CFTR (0.37) CFTRGABRA5NR3C1RIPK1MAPT
SCHEMBL25240950 1.00 CFTR (0.37) CFTRGABRA5NR3C1RIPK1MAPT
SCHEMBL30006889 0.94 CFTR (0.36) CFTRGABRA5NR3C1RIPK1MAPT
SCHEMBL25687212 0.94 CFTR (0.36) CFTRGABRA5NR3C1RIPK1MAPT
SCHEMBL30007228 0.91 CFTR (0.38) CFTRGABRA5NR3C1MAPTPTGFR
SCHEMBL25686201 0.91 CFTR (0.38) CFTRGABRA5NR3C1MAPTPTGFR
SCHEMBL25235693 0.91 CFTR (0.38) CFTRGABRA5NR3C1MAPTPTGFR
SCHEMBL25687276 0.91 CFTR (0.34) CFTRGABRA5RIPK1MAPTULK1
SCHEMBL30007214 0.89 CFTR (0.35) CFTRGABRA5NR3C1RIPK1MAPT
SCHEMBL28960598 0.89 CFTR (0.35) CFTRGABRA5NR3C1RIPK1MAPT

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 508/4885GABRA5 3534/4885NR3C1 1147/4885

“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.