SCHEMBL26527282

SCHEMBL26527282

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.34
CFTR P13569 3/20 0.33
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
RAF1 P04049 2/20 0.30
BRAF P15056 2/20 0.30
NR3C1 P04150 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 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
SCHEMBL26527316 0.94 ADORA2A (0.34) GABRA5CFTRADORA2AADORA2BADORA1
SCHEMBL26527315 0.93 GABRA5 (0.33) GABRA5CFTR
SCHEMBL26527318 0.93 CFTR (0.32) GABRA5CFTRPOLBKMT2A
SCHEMBL26545544 0.93 CFTR (0.34) GABRA5CFTRRAF1BRAF
SCHEMBL26527274 0.93 GABRA5 (0.32) GABRA5CFTRRAF1BRAF
SCHEMBL26527278 0.93 GABRA5 (0.32) GABRA5CFTR
SCHEMBL24986117 0.92 GABRA5 (0.34) GABRA5CFTRPOLBKMT2ANR3C1
SCHEMBL24986121 0.92 GABRA5 (0.34) GABRA5CFTRPOLBKMT2ANR3C1
SCHEMBL26527287 0.92 CFTR (0.32) GABRA5CFTR
SCHEMBL25115960 0.92 GABRA5 (0.33) GABRA5CFTRPOLBKMT2ARAF1

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-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 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-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 GABRA5 3773/4885CFTR 283/4885POLB 2743/4885

“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.