SCHEMBL4970753

SCHEMBL4970753

N#C[C@]1(c2ccc3c(N)ncnn23)CC[C@@H](CO)O1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.36
▸ ACVRL1 P37023 2/20 0.33
▸ PIK3CD O00329 7/20 0.33
▸ TNK2 Q07912 1/20 0.30
▸ LRRK2 Q5S007 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
SCHEMBL10142076 1.00 TMPRSS2 (0.36) TMPRSS2ACVRL1PIK3CDTNK2LRRK2
SCHEMBL18666907 1.00 TMPRSS2 (0.36) TMPRSS2ACVRL1PIK3CDTNK2LRRK2
SCHEMBL24789794 0.85 PIK3CD (0.34) TMPRSS2PIK3CD
SCHEMBL24512501 0.84 POLRMT (0.32) TMPRSS2PIK3CD
SCHEMBL29566128 0.83 TMPRSS2 (0.32) TMPRSS2PIK3CD
SCHEMBL24790497 0.83 PIK3CD (0.33) TMPRSS2PIK3CD
SCHEMBL25608306 0.83 PIK3CD (0.31) PIK3CD
SCHEMBL4972175 0.83 PIK3CD (0.32) PIK3CD
SCHEMBL27121333 0.82 TMPRSS2 (0.32) TMPRSS2PIK3CD
SCHEMBL23822912 0.82 TNK2 (0.35) TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102472-A1 ANTIVIRAL PRODRUGS AND FORMULATIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2023-06-08 — — WO disclosed
WO-2021213288-A1 ANTIVIRAL APPLICATION OF NUCLEOSIDE ANALOG OR COMBINATION FORMULATION CONTAINING NUCLEOSIDE ANALOG 中国科学院上海药物研究所 (CN) 2021-10-28 — — WO disclosed
US-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 — — US disclosed
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
WO-2012012776-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-01-26 — — WO 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 TMPRSS2 2537/4885ACVRL1 2646/4885PIK3CD 273/4885
US-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 TMPRSS2 433/4885ACVRL1 3874/4885PIK3CD 1576/4885

“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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