SCHEMBL24985779

SCHEMBL24985779

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)C(F)(F)F)cc2ccc(C)nc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
GABRA5 P31644 2/20 0.32
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
SCHEMBL24985771 1.00 CFTR (0.33) CFTRADORA2AADORA2BADORA1GABRA5
SCHEMBL24986096 0.93 CFTR (0.35) CFTRGABRA5POLBKMT2A
SCHEMBL24986097 0.93 CFTR (0.35) CFTRGABRA5POLBKMT2A
SCHEMBL25114674 0.93 CFTR (0.31) CFTRGABRA5
SCHEMBL25114673 0.93 CFTR (0.31) CFTRGABRA5
SCHEMBL24984700 0.92 CFTR (0.31) CFTRGABRA5
SCHEMBL24986149 0.92 CFTR (0.33) CFTRGABRA5POLBKMT2A
SCHEMBL24986153 0.92 CFTR (0.33) CFTRGABRA5POLBKMT2A
SCHEMBL25113796 0.92 CFTR (0.33) CFTRADORA2AADORA2BADORA1GABRA5
SCHEMBL25113797 0.92 CFTR (0.33) CFTRADORA2AADORA2BADORA1GABRA5

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-11572367-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2023-02-07 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-11572367-B2 Antiviral heterocyclic compounds ACE, HPRT1, ACE2 CFTR 283/4885ADORA2A 1668/4885ADORA2B 1151/4885

“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.