SCHEMBL26399124

SCHEMBL26399124

COc1ccc(CCOC(=O)OC[C@@H]2C[C@@H](O)[C@](C#N)(c3ccc4c(N)ncnn34)O2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.35
▸ RIPK1 Q13546 5/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ PIK3CD O00329 1/20 0.31

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
SCHEMBL26206458 0.87 TMPRSS2 (0.43) TMPRSS2RIPK1
SCHEMBL24606306 0.84 TMPRSS2 (0.41) TMPRSS2RIPK1PIK3CD
SCHEMBL26328814 0.83 TMPRSS2 (0.31) TMPRSS2RIPK1
SCHEMBL26328735 0.80 TMPRSS2 (0.35) TMPRSS2
SCHEMBL24791772 0.79 POLRMT (0.37) TMPRSS2PIK3CD
SCHEMBL26206193 0.78 TMPRSS2 (0.48) TMPRSS2RIPK1
SCHEMBL26206455 0.77 TMPRSS2 (0.46) TMPRSS2RIPK1
SCHEMBL24789693 0.77 POLRMT (0.38) TMPRSS2PIK3CD
SCHEMBL10153929 0.77 TMPRSS2 (0.44) TMPRSS2PIK3CD
SCHEMBL23034569 0.76 TMPRSS2 (0.36) TMPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780844-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-10-10 — — 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 (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-11780844-B2 Compounds and methods for treatment of viral infections HAVCR2, EIF2AK2, OAT TMPRSS2 112/4885RIPK1 4055/4885SLC6A2 2851/4885

“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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