SCHEMBL25697114

SCHEMBL25697114

COc1cc(C(=O)NC[C@H](c2cc(C(C)(C)O)c(I)c(-c3ccc(P)cc3)n2)C(F)(F)F)cc2cc(C)c(P)nc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 3/20 0.32
ACSS2 Q9NR19 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 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
SCHEMBL25697454 0.85 ACSS2 (0.30) ACSS2
SCHEMBL25697148 0.82 ACSS2 (0.33) PTGFRACSS2KDM4EALDH1A1POLB
SCHEMBL25697621 0.77 ACSS2 (0.30) ACSS2
SCHEMBL23958895 0.76 PTGFR (0.39) PTGFRACSS2KDM4EALDH1A1
SCHEMBL23958726 0.75 CFTR (0.35) PTGFRACSS2KDM4EALDH1A1MAPT
SCHEMBL25697304 0.73 ACSS2 (0.32) PTGFRACSS2KDM4E
SCHEMBL23958806 0.73 CFTR (0.34) PTGFRACSS2KDM4EALDH1A1POLB
SCHEMBL25698074 0.73 PTGFR (0.35) PTGFRACSS2
SCHEMBL25697165 0.70 IRAK4 (0.30)
SCHEMBL25697681 0.70 ACSS2 (0.31) ACSS2KDM4EALDH1A1POLBMAPT

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 PTGFR 3859/4885ACSS2 1254/4885KDM4E 3733/4885

“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.