SCHEMBL25115993

SCHEMBL25115993

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.33
CFTR P13569 3/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
LMNA P02545 1/20 0.30
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
SCHEMBL25116014 0.93 GABRA5 (0.32) GABRA5MAPTLMNA
SCHEMBL23905718 0.93 CFTR (0.32) GABRA5CFTRMAPT
SCHEMBL23905406 0.92 GABRA5 (0.34) GABRA5CFTRMAPTPDE4B
SCHEMBL25116477 0.87 CFTR (0.32) GABRA5CFTRMAPTKDM4EALDH1A1
SCHEMBL24988033 0.86 GABRA5 (0.35) GABRA5CFTRMAPT
SCHEMBL23905315 0.84 GABRA5 (0.34) GABRA5CFTR
SCHEMBL23905865 0.84 GABRA5 (0.34) GABRA5CFTR
SCHEMBL24988035 0.84 ALDH1A1 (0.32) GABRA5CFTRMAPTALDH1A1HPGD
SCHEMBL23905868 0.84 GABRA5 (0.34) GABRA5CFTRKDM4EALDH1A1HPGD
SCHEMBL23905870 0.84 GABRA5 (0.34) GABRA5CFTRKDM4EALDH1A1HPGD

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 GABRA5 3773/4885CFTR 283/4885MAPT 4608/4885

“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.