SCHEMBL20694159

SCHEMBL20694159

CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(S)cc4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O

nearest known ligand 0.92

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 0.92
▸ TMIGD3 P0DMS9 2/20 0.71
▸ SLC6A2 P23975 1/20 0.70
▸ TMEM97 Q5BJF2 1/20 0.70
▸ ADORA1 P30542 1/20 0.70
▸ ADORA2A P29274 1/20 0.70

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
SCHEMBL16361550 0.88 ADORA3 (1.00) ADORA3TMIGD3ADORA2A
SCHEMBL10323827 0.88 ADORA3 (1.00) ADORA3TMIGD3ADORA2A
SCHEMBL23097505 0.85 ADORA3 (1.00) ADORA3TMIGD3SLC6A2
SCHEMBL20122072 0.85 ADORA3 (1.00) ADORA3TMIGD3SLC6A2
SCHEMBL16774266 0.85 ADORA3 (1.00) ADORA3TMIGD3SLC6A2
SCHEMBL18358027 0.85 ADORA3 (0.79) ADORA3TMIGD3ADORA1ADORA2A
SCHEMBL10321790 0.83 ADORA3 (1.00) ADORA3TMIGD3ADORA2A
SCHEMBL16361709 0.83 ADORA3 (1.00) ADORA3TMIGD3ADORA2A
SCHEMBL18357994 0.83 ADORA3 (1.00) ADORA3TMIGD3ADORA1ADORA2A
SCHEMBL21779338 0.83 ADORA3 (1.00) ADORA3TMIGD3ADORA1ADORA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230115413-A1 Use of Thiol Compounds to Treat Neurological Disease ZANKEL, TODD C, MR 2023-04-13 — — US disclosed
US-20210069129-A1 Use of Thiol Compounds to Treat Neurological Disease ZANKEL, TODD C, MR 2021-03-11 — — US disclosed
US-20190029977-A1 Use of Thiol Compounds to Treat Neurological Disease ZANKEL, TODD C, MR 2019-01-31 — — 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 (3 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-20190029977-A1 Use of Thiol Compounds to Treat Neurological Disease TST, NLN, SLC7A11 ADORA3 2417/4885TMIGD3 1731/4885SLC6A2 189/4885
US-20230115413-A1 Use of Thiol Compounds to Treat Neurological Disease TST, NLN, SLC7A11 ADORA3 2417/4885TMIGD3 1731/4885SLC6A2 189/4885
US-20210069129-A1 Use of Thiol Compounds to Treat Neurological Disease TST, NLN, SLC7A11 ADORA3 2417/4885TMIGD3 1731/4885SLC6A2 189/4885

“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.

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