Remdesivir

Remdesivir

SCHEMBL24611640

CCC(CC)COC(=O)[C@H](C)N[P@@](=O)(OCC1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

Lrep

The experimentally established mechanism targets of Remdesivir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.40
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ KRAS P01116 1/20 0.32
▸ RIPK1 Q13546 2/20 0.32
▸ BTN3A1 O00481 3/20 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
Remdesivir SCHEMBL31156820 1.00 TMPRSS2 (0.40) TMPRSS2CYP3A4CYP2C9KRASRIPK1
Remdesivir SCHEMBL17712238 1.00 TMPRSS2 (0.40) TMPRSS2CYP3A4CYP2C9KRASRIPK1
Remdesivir SCHEMBL17712227 1.00 TMPRSS2 (0.40) TMPRSS2CYP3A4CYP2C9KRASRIPK1
Remdesivir SCHEMBL22143154 1.00 TMPRSS2 (0.40) TMPRSS2CYP3A4CYP2C9KRASRIPK1
Remdesivir SCHEMBL23685886 1.00 TMPRSS2 (0.40) TMPRSS2CYP3A4CYP2C9KRASRIPK1
Remdesivir SCHEMBL17712269 1.00 TMPRSS2 (0.40) TMPRSS2CYP3A4CYP2C9KRASRIPK1
Remdesivir SCHEMBL24494884 1.00 TMPRSS2 (0.40) TMPRSS2CYP3A4CYP2C9KRASRIPK1
Remdesivir SCHEMBL24494885 1.00 TMPRSS2 (0.40) TMPRSS2CYP3A4CYP2C9KRASRIPK1
Remdesivir SCHEMBL20500116 1.00 TMPRSS2 (0.40) TMPRSS2CYP3A4CYP2C9KRASRIPK1
Remdesivir SCHEMBL30001735 1.00 TMPRSS2 (0.40) TMPRSS2CYP3A4CYP2C9KRASRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024341-A1 INHALATION FORMULATIONS OF 1`-CYANO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. 2024-01-25 — — US disclosed
US-11382926-B2 Methods for treating Arenaviridae and Coronaviridae virus infections GILEAD SCIENCES, INC. (US) 2022-07-12 — — 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-11382926-B2 Methods for treating Arenaviridae and Coronaviridae virus infections ACE, PNP, ACE2 TMPRSS2 12/4885CYP3A4 1145/4885CYP2C9 2167/4885
US-20240024341-A1 INHALATION FORMULATIONS OF 1`-CYANO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS SLC29A1, SLC28A1, RNMT TMPRSS2 4176/4885CYP3A4 1076/4885CYP2C9 651/4885

“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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