SCHEMBL24345456

SCHEMBL24345456

CC1(N[S@@+]([O-])C(C)(C)C)COc2c1cc(Cl)nc2-c1ccc(F)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL29620708 1.00 ADORA3 (0.32) ADORA3ADORA2AADORA2BADORA1
SCHEMBL23700509 0.86 ADORA2A (0.31) ADORA3ADORA2AADORA2BADORA1
SCHEMBL23700513 0.86 ADORA2A (0.31) ADORA3ADORA2AADORA2BADORA1
SCHEMBL23700511 0.86 ADORA2A (0.31) ADORA3ADORA2AADORA2BADORA1
SCHEMBL29620709 0.86 ADORA2A (0.31) ADORA3ADORA2AADORA2BADORA1
SCHEMBL18031469 0.82
SCHEMBL18031368 0.82
SCHEMBL18031468 0.82
SCHEMBL18031261 0.80 CFTR (0.30)
SCHEMBL16545056 0.78 PGR (0.32)

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
WO-2022086840-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2022-04-28 WO disclosed
US-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-04-21 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-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN ADORA3 1375/4885ADORA2A 1689/4885ADORA2B 813/4885

“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.