SCHEMBL10120054

SCHEMBL10120054

CCC(CC)COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ccnn23)[C@H](O)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ TMPRSS2 O15393 1/20 0.36
▸ BTN3A1 O00481 4/20 0.33
▸ KRAS P01116 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
SCHEMBL29578011 1.00 CYP3A4 (0.38) CYP3A4CYP2C9TMPRSS2BTN3A1KRAS
SCHEMBL17719206 1.00 CYP3A4 (0.38) CYP3A4CYP2C9TMPRSS2BTN3A1KRAS
SCHEMBL25510132 1.00 CYP3A4 (0.38) CYP3A4CYP2C9TMPRSS2BTN3A1KRAS
SCHEMBL10120055 0.94 CYP3A4 (0.40) CYP3A4CYP2C9TMPRSS2BTN3A1
SCHEMBL26326119 0.92 TMPRSS2 (0.36) CYP3A4CYP2C9TMPRSS2
SCHEMBL17719213 0.91 CYP3A4 (0.45) CYP3A4CYP2C9TMPRSS2BTN3A1
SCHEMBL10120052 0.91 CYP3A4 (0.45) CYP3A4CYP2C9TMPRSS2BTN3A1
Remdesivir SCHEMBL24494885 0.91 TMPRSS2 (0.40) CYP3A4CYP2C9TMPRSS2BTN3A1KRAS
Remdesivir SCHEMBL24611640 0.91 TMPRSS2 (0.40) CYP3A4CYP2C9TMPRSS2BTN3A1KRAS
Remdesivir SCHEMBL24494884 0.91 TMPRSS2 (0.40) CYP3A4CYP2C9TMPRSS2BTN3A1KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207291-A1 METHODS FOR TREATING POXVIRUS INFECTIONS GILEAD SCIENCES, INC. 2024-06-27 — — US disclosed
US-20240024341-A1 INHALATION FORMULATIONS OF 1`-CYANO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. 2024-01-25 — — US disclosed
US-20230346812-A1 METHODS FOR TREATING SARS COV-2 INFECTIONS GILEAD SCIENCES, INC. 2023-11-02 — — US disclosed
US-20230233587-A1 REMDESIVIR TREATMENT METHODS GILEAD SCIENCES, INC. 2023-07-27 — — US disclosed
US-11701372-B2 Inhalation formulations of 1'-cyano substituted carba-nucleoside analogs GILEAD SCIENCES, INC. (US) 2023-07-18 — — US disclosed
US-11660307-B2 Methods for treating SARS CoV-2 infections GILEAD SCIENCES, INC. (US) 2023-05-30 — — US disclosed
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2023-04-27 — — US disclosed
US-9949994-B2 Methods for treating Filoviridae virus infections GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
US-9724360-B2 Methods for treating Filoviridae virus infections GILEAD SCIENCES, INC. (US) 2017-08-08 — — US disclosed
US-20170071964-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2017-03-16 — — US disclosed
US-20160361330-A1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2016-12-15 — — US disclosed
US-20160122374-A1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2016-05-05 — — US disclosed
US-20150152116-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2015-06-04 — — US disclosed
US-20150111839-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2015-04-23 — — US disclosed
US-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-02-02 — — 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 (13 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-20160361330-A1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS PNP, PRPF4, RPIA CYP3A4 772/4885CYP2C9 2974/4885TMPRSS2 1951/4885
US-20150111839-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 CYP3A4 1697/4885CYP2C9 3257/4885TMPRSS2 433/4885
US-20230233587-A1 REMDESIVIR TREATMENT METHODS EIF2AK2, MTAP, ACE CYP3A4 628/4885CYP2C9 879/4885TMPRSS2 259/4885
US-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 CYP3A4 1697/4885CYP2C9 3257/4885TMPRSS2 433/4885
US-20150152116-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 CYP3A4 1697/4885CYP2C9 3257/4885TMPRSS2 433/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 CYP3A4 1697/4885CYP2C9 3257/4885TMPRSS2 433/4885
US-11660307-B2 Methods for treating SARS CoV-2 infections ACE2, ACE, PNP CYP3A4 296/4885CYP2C9 476/4885TMPRSS2 6/4885
US-20170071964-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS ACE, PNP, ACE2 CYP3A4 1145/4885CYP2C9 2167/4885TMPRSS2 12/4885
US-20240024341-A1 INHALATION FORMULATIONS OF 1`-CYANO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS SLC29A1, SLC28A1, RNMT CYP3A4 1076/4885CYP2C9 651/4885TMPRSS2 4176/4885
US-20230346812-A1 METHODS FOR TREATING SARS COV-2 INFECTIONS ACE2, ACE, PNP CYP3A4 296/4885CYP2C9 476/4885TMPRSS2 6/4885
US-20160122374-A1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS PNP, PRPF4, RPIA CYP3A4 772/4885CYP2C9 2974/4885TMPRSS2 1951/4885
US-11701372-B2 Inhalation formulations of 1'-cyano substituted carba-nucleoside analogs SLC29A1, SLC28A1, SLC29A2 CYP3A4 1147/4885CYP2C9 633/4885TMPRSS2 4231/4885
US-20240207291-A1 METHODS FOR TREATING POXVIRUS INFECTIONS VAC14, SDHB, XDH CYP3A4 3182/4885CYP2C9 3880/4885TMPRSS2 2934/4885

“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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