SCHEMBL26200467

SCHEMBL26200467

CCCCCCCC(=O)Nc1ncnn2c([C@]3(C)O[C@H](COC(=O)C(C)C)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.37
▸ GSK3B P49841 1/20 0.33
▸ DEGS1 O15121 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ CNR1 P21554 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
SCHEMBL26200184 0.99 TMPRSS2 (0.37) TMPRSS2GSK3BDEGS1RAB9ASMN1; SMN2
SCHEMBL25925533 0.97 TMPRSS2 (0.37) TMPRSS2GSK3BRAB9ASMN1; SMN2HTT
SCHEMBL25912349 0.94 TMPRSS2 (0.38) TMPRSS2
SCHEMBL25913910 0.89 TMPRSS2 (0.37) TMPRSS2SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL25925050 0.89 TMPRSS2 (0.37) TMPRSS2RAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL25913455 0.88 TMPRSS2 (0.36) TMPRSS2SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL26546100 0.88 DEGS1 (0.33) TMPRSS2GSK3BDEGS1RAB9A
SCHEMBL25912317 0.86 TMPRSS2 (0.38) TMPRSS2
SCHEMBL25912345 0.85 TMPRSS2 (0.39) TMPRSS2
SCHEMBL25913319 0.84 TMPRSS2 (0.47) TMPRSS2GSK3BRAB9ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054618-A1 METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2024-03-14 — — WO disclosed
WO-2023239665-A1 METHODS FOR TREATMENT OF VIRAL INFECTIONS INCLUDING SARS-COV-2 GILEAD SCIENCES, INC. (US) 2023-12-14 — — WO disclosed
US-20230322813-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-10-12 — — US disclosed
WO-2023167938-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2023-09-07 — — 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 (1 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-20230322813-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT TMPRSS2 112/4885GSK3B 4102/4885DEGS1 2005/4885

“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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