SCHEMBL25114635

SCHEMBL25114635

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(CF)C(N)=O)C(F)(F)F)cc2cc(C(F)(F)F)cnc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.34
RAF1 P04049 4/20 0.33
BRAF P15056 4/20 0.33
GABRA5 P31644 5/20 0.32
ADCY8 P40145 1/20 0.31
ADCY1 Q08828 1/20 0.31
PDE4B Q07343 1/20 0.30

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
SCHEMBL25115078 1.00 CFTR (0.34) CFTRRAF1BRAFGABRA5ADCY8
SCHEMBL25115027 1.00 CFTR (0.34) CFTRRAF1BRAFGABRA5ADCY8
SCHEMBL25114637 1.00 CFTR (0.34) CFTRRAF1BRAFGABRA5ADCY8
SCHEMBL25114909 0.96 CFTR (0.34) CFTRRAF1BRAFGABRA5ADCY8
SCHEMBL25114886 0.96 CFTR (0.34) CFTRRAF1BRAFGABRA5ADCY8
SCHEMBL25113928 0.96 CFTR (0.34) CFTRRAF1BRAFGABRA5ADCY8
SCHEMBL25115960 0.93 GABRA5 (0.33) CFTRRAF1BRAFGABRA5
SCHEMBL25117150 0.93 GABRA5 (0.33) CFTRRAF1BRAFGABRA5
SCHEMBL24986244 0.92 CFTR (0.34) CFTRRAF1BRAFGABRA5ADCY8
SCHEMBL24986247 0.92 CFTR (0.34) CFTRRAF1BRAFGABRA5ADCY8

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-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-04-06 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-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 CFTR 283/4885RAF1 3626/4885BRAF 3412/4885

“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.