SCHEMBL25978737

SCHEMBL25978737

CC(C)c1cc(C(C)C)n(I)n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL26202955 0.77 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL25649132 0.74 GABRA1 (0.37) ALDH1A1GAA
SCHEMBL2737328 0.73 ALDH1A1 (0.35) ALDH1A1GAANOS3NOS1NOS2
SCHEMBL17368839 0.71 ALDH1A1 (0.34) ALDH1A1GAANOS3NOS1NOS2
SCHEMBL2456612 0.71 ALDH1A1 (0.34) ALDH1A1GAANOS3NOS1NOS2
SCHEMBL17489165 0.71 ALDH1A1 (0.34) ALDH1A1GAANOS3NOS1NOS2
SCHEMBL17853360 0.71 ALDH1A1 (0.34) ALDH1A1GAANOS3NOS1NOS2
SCHEMBL4013826 0.71 ALDH1A1 (0.34) ALDH1A1GAANOS3NOS1NOS2
SCHEMBL12796093 0.71 ALDH1A1 (0.42) ALDH1A1GAANOS3NOS1NOS2
SCHEMBL26207419 0.71

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-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 US disclosed
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 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-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4654/4885GAA 184/4885NOS3 1311/4885
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4654/4885GAA 184/4885NOS3 1311/4885

“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.