SCHEMBL22023657

SCHEMBL22023657

CCCCCCCC(C)(CCCCCC)c1ncsn1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.33
SMPD1 P17405 4/20 0.33
GGPS1 O95749 6/20 0.32
S1PR4 O95977 3/20 0.31
S1PR1 P21453 3/20 0.31
S1PR3 Q99500 3/20 0.31
S1PR5 Q9H228 3/20 0.31
CNR2 P34972 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
SCHEMBL22951263 0.93 S1PR4 (0.32) FDPSSMPD1GGPS1S1PR4S1PR1
SCHEMBL23634141 0.93 S1PR4 (0.32) FDPSSMPD1GGPS1S1PR4S1PR1
SCHEMBL18557087 0.74 TLR8 (0.36) CNR2
SCHEMBL24414188 0.74 TLR8 (0.36) CNR2
SCHEMBL18612488 0.74 TLR8 (0.36) CNR2
SCHEMBL18760500 0.74 TLR8 (0.36) CNR2
SCHEMBL18852694 0.73 TLR8 (0.36) CNR2
SCHEMBL18793072 0.73 TLR8 (0.36) CNR2
SCHEMBL23502540 0.72 CNR2 (0.34) FDPSGGPS1CNR2
SCHEMBL23502537 0.72 CNR2 (0.34) FDPSGGPS1CNR2

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-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 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-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF FDPS 289/4885SMPD1 3339/4885GGPS1 1032/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF FDPS 289/4885SMPD1 3339/4885GGPS1 1032/4885

“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.