SCHEMBL4971072

SCHEMBL4971072

CCCCOC[C@@H]1CCC(C)(c2ccc3c(N)ncnn23)O1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10142092 0.87 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL4974309 0.87 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL4972175 0.85 PIK3CD (0.32) SMN1; SMN2
SCHEMBL14684696 0.85 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL14052168 0.85 TNK2 (0.35) —
SCHEMBL18666854 0.85 TNK2 (0.35) —
SCHEMBL23047661 0.82 ACVRL1 (0.32) —
SCHEMBL807536 0.82 ACVRL1 (0.32) —
SCHEMBL18666834 0.82 ACVRL1 (0.32) —
SCHEMBL807412 0.82 — —

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-20120107274-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-05-03 — — US disclosed
US-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-02-02 — — 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-20120107274-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, SLC29A2 SMN1; SMN2 1833/4885
US-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 SMN1; SMN2 746/4885

“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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