SCHEMBL23958734

SCHEMBL23958734

COc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)c(Cl)c(-c3ccc(F)cc3)n2)C(F)(F)F)cc2cc(C)c(F)nc12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.38
PTGFR P43088 5/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 1/20 0.32
NR3C1 P04150 1/20 0.32
GABRA5 P31644 1/20 0.32
RIPK1 Q13546 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 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
SCHEMBL25687236 1.00 CFTR (0.38) CFTRPTGFRCNR2CNR1KDM4E
SCHEMBL25687409 0.93 CFTR (0.40) CFTRPTGFRCNR2ALDH1A1NPSR1
SCHEMBL25687310 0.90 CFTR (0.39) CFTRPTGFRCNR2CNR1KDM4E
SCHEMBL23958707 0.90 CFTR (0.39) CFTRPTGFRCNR2CNR1KDM4E
SCHEMBL30007790 0.89 CFTR (0.38) CFTRPTGFRCNR2KDM4EALDH1A1
SCHEMBL25280846 0.89 CFTR (0.38) CFTRPTGFRCNR2KDM4EALDH1A1
SCHEMBL25687207 0.89 CFTR (0.38) CFTRPTGFRCNR2KDM4EALDH1A1
SCHEMBL25230844 0.89 CFTR (0.40) CFTRPTGFRCNR2CNR1KDM4E
SCHEMBL30007704 0.89 CFTR (0.39) CFTRPTGFRCNR2ALDH1A1NPSR1
SCHEMBL25687415 0.88 CFTR (0.40) CFTRPTGFRCNR2CNR1KDM4E

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 508/4885PTGFR 3859/4885CNR2 646/4885

“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.