SCHEMBL20878440

SCHEMBL20878440

CCOC(=O)[C@H](C)NP(=O)(OCC1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.42
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ BTN3A1 O00481 5/20 0.33
▸ RIPK1 Q13546 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
SCHEMBL18310258 1.00 TMPRSS2 (0.42) TMPRSS2CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL10120820 1.00 TMPRSS2 (0.42) TMPRSS2CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL20078639 0.95 TMPRSS2 (0.44) TMPRSS2CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL17712511 0.95 TMPRSS2 (0.44) TMPRSS2CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL17712266 0.95 TMPRSS2 (0.44) TMPRSS2CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL24975093 0.95 TMPRSS2 (0.44) TMPRSS2CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL17712509 0.95 TMPRSS2 (0.44) TMPRSS2CYP3A4CYP2C9BTN3A1RIPK1
Remdesivir SCHEMBL24494884 0.94 TMPRSS2 (0.40) TMPRSS2CYP3A4CYP2C9BTN3A1RIPK1
Remdesivir SCHEMBL22143154 0.94 TMPRSS2 (0.40) TMPRSS2CYP3A4CYP2C9BTN3A1RIPK1
Remdesivir SCHEMBL24611640 0.94 TMPRSS2 (0.40) TMPRSS2CYP3A4CYP2C9BTN3A1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2023-04-27 — — US disclosed
US-20210061806-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2021-03-04 — — US disclosed
US-10251898-B2 Methods for treating Filoviridae virus infections GILEAD SCIENCES, INC. (US) 2019-04-09 — — 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 (3 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-20210061806-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 TMPRSS2 433/4885CYP3A4 1697/4885CYP2C9 3257/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 TMPRSS2 433/4885CYP3A4 1697/4885CYP2C9 3257/4885
US-10251898-B2 Methods for treating Filoviridae virus infections PNP, PRPF4, RPIA TMPRSS2 1951/4885CYP3A4 772/4885CYP2C9 2974/4885

“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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