SCHEMBL26527286

SCHEMBL26527286

NC(=O)[C@@]1(F)COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3ncc(Cl)cc3c1)C(F)(F)F)nc2-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.32
GABRA5 P31644 4/20 0.31
PIK3CA P42336 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
SCHEMBL26527274 0.93 GABRA5 (0.32) GABRA5PIK3CA
SCHEMBL26527318 0.93 CFTR (0.32) GABRA5
SCHEMBL25116475 0.92 IP6K1 (0.32) IP6K1GABRA5PIK3CA
SCHEMBL25116376 0.92 IP6K1 (0.31) IP6K1GABRA5PIK3CA
SCHEMBL25116312 0.92 IP6K1 (0.31) IP6K1GABRA5PIK3CA
SCHEMBL23905261 0.92 PIK3CA (0.32) IP6K1GABRA5PIK3CA
SCHEMBL24984882 0.92 PIK3CA (0.32) IP6K1GABRA5PIK3CA
SCHEMBL24984881 0.92 PIK3CA (0.32) IP6K1GABRA5PIK3CA
SCHEMBL25116469 0.92 IP6K1 (0.32) IP6K1GABRA5PIK3CA
SCHEMBL25116542 0.92 IP6K1 (0.31) IP6K1GABRA5PIK3CA

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 IP6K1 2026/4885GABRA5 3773/4885PIK3CA 1428/4885

“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.