SCHEMBL18636618

SCHEMBL18636618

CN=C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)[C@@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ POLRMT O00411 1/20 0.34
▸ TMPRSS2 O15393 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
SCHEMBL18666929 0.87 CA12 (0.38) CA12CA1CA2CA9POLRMT
SCHEMBL24917302 0.86 POLRMT (0.35) POLRMTTMPRSS2
SCHEMBL10120871 0.84 CA12 (0.36) CA12CA1CA2CA9POLRMT
SCHEMBL10120864 0.84 TMPRSS2 (0.43) CA12CA1CA2CA9POLRMT
SCHEMBL24119311 0.84 TMPRSS2 (0.43) CA12CA1CA2CA9POLRMT
SCHEMBL22646485 0.82 TMPRSS2 (0.42) CA12CA1CA2CA9POLRMT
SCHEMBL24313283 0.82 POLRMT (0.34) POLRMTTMPRSS2
SCHEMBL18636645 0.81 CA12 (0.41) CA12CA1CA2CA9POLRMT
SCHEMBL20878409 0.81 POLRMT (0.50) POLRMT
SCHEMBL24976071 0.80 TMPRSS2 (0.40) CA12CA1CA2CA9TMPRSS2

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
EP-3785717-A1 METHODS FOR TREATING CORONAVIRIDAE INFECTIONS Gilead Sciences, Inc. (US) 2021-03-03 — — EP disclosed
US-10251904-B2 Methods for treating arenaviridae and coronaviridae virus infections GILEAD SCIENCES, INC. (US) 2019-04-09 — — US disclosed
US-9949994-B2 Methods for treating Filoviridae virus infections GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
US-20170071964-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2017-03-16 — — 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-10251904-B2 Methods for treating arenaviridae and coronaviridae virus infections ACE, PNP, ACE2 CA12 2132/4885CA1 2531/4885CA2 3752/4885
US-20170071964-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS ACE, PNP, ACE2 CA12 2132/4885CA1 2531/4885CA2 3752/4885

“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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