SCHEMBL23717294

SCHEMBL23717294

N[C@@]1(C(F)(F)F)COc2c1cc([C@@](O)(CNC(=O)c1ccc(OC3CC3)c(OC3CC3)c1)C1CC1)nc2-c1ccc(F)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.34
AR P10275 3/20 0.33
ENPP2 Q13822 2/20 0.32
SLC5A7 Q9GZV3 2/20 0.31
EPHX2 P34913 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GLP1R P43220 1/20 0.31
GCGR P47871 1/20 0.31
PDE4D Q08499 2/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 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
SCHEMBL23717300 1.00 IP6K1 (0.34) IP6K1ARENPP2SLC5A7EPHX2
SCHEMBL23700499 0.96 EPHX2 (0.34) IP6K1EPHX2MEN1KMT2APDE4D
SCHEMBL23700501 0.96 EPHX2 (0.34) IP6K1EPHX2MEN1KMT2APDE4D
SCHEMBL23700502 0.96 EPHX2 (0.34) IP6K1EPHX2MEN1KMT2APDE4D
SCHEMBL23674682 0.94 GABRA5 (0.34) IP6K1ARENPP2SLC5A7EPHX2
SCHEMBL23674683 0.94 GABRA5 (0.34) IP6K1ARENPP2SLC5A7EPHX2
SCHEMBL23674680 0.94 GABRA5 (0.34) IP6K1ARENPP2SLC5A7EPHX2
SCHEMBL23700642 0.92 AR (0.33) IP6K1ARSLC5A7EPHX2MEN1
SCHEMBL23700643 0.92 AR (0.33) IP6K1ARSLC5A7EPHX2MEN1
SCHEMBL23700496 0.91 ENPP2 (0.33) ENPP2SLC5A7EPHX2MEN1KMT2A

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-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-08-05 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 (2 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-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN IP6K1 2601/4885AR 4623/4885ENPP2 518/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN IP6K1 2601/4885AR 4623/4885ENPP2 518/4885

“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.