SCHEMBL26527316

SCHEMBL26527316

Cc1cnc2c(OC(F)(F)F)cc(C(=O)NC[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(F)C(N)=O)C(F)(F)F)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
GABRA5 P31644 4/20 0.33
CFTR P13569 3/20 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
SCHEMBL26527282 0.94 GABRA5 (0.34) ADORA2AADORA2BADORA1GABRA5CFTR
SCHEMBL26527315 0.93 GABRA5 (0.33) GABRA5CFTR
SCHEMBL25114880 0.92 ADORA2A (0.34) ADORA2AADORA2BADORA1GABRA5CFTR
SCHEMBL26527274 0.92 GABRA5 (0.32) GABRA5CFTR
SCHEMBL26527278 0.92 GABRA5 (0.32) GABRA5CFTR
SCHEMBL26527284 0.88 GABRA5 (0.32) GABRA5CFTR
SCHEMBL26527290 0.88 HDAC1 (0.33) GABRA5CFTR
SCHEMBL26527318 0.87 CFTR (0.32) GABRA5CFTR
SCHEMBL26545544 0.87 CFTR (0.34) GABRA5CFTR
SCHEMBL24986121 0.87 GABRA5 (0.34) ADORA2AADORA2BADORA1GABRA5CFTR

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 ADORA2A 1668/4885ADORA2B 1151/4885ADORA1 1773/4885

“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.