SCHEMBL23819276

SCHEMBL23819276

CCC(CC)COC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OC1CCCCC1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ EPHX1 P07099 1/20 0.35

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
SCHEMBL26276560 0.91 NPC1 (0.45) NPC1POLBRAB9ACES2CES1
SCHEMBL23803238 0.87 NPC1 (0.42) NPC1POLBRAB9ACES2CES1
SCHEMBL23803235 0.87 NPC1 (0.42) NPC1POLBRAB9ACES2CES1
SCHEMBL26277253 0.86 CA1 (0.43) NPC1POLBRAB9ACES2CES1
SCHEMBL23803314 0.85 ALDH1A1 (0.42) NPC1RAB9ACES2CES1SMN1; SMN2
SCHEMBL23803311 0.85 ALDH1A1 (0.42) NPC1RAB9ACES2CES1SMN1; SMN2
SCHEMBL28854828 0.83 NPC1 (0.45) NPC1POLBRAB9ACES2CES1
SCHEMBL26294735 0.83 NPC1 (0.45) NPC1POLBRAB9ACES2CES1
SCHEMBL26277127 0.82 CA1 (0.40) NPC1RAB9ACES2CES1SMN1; SMN2
SCHEMBL16554025 0.81 CA1 (0.45) NPC1RAB9ACES2CES1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109724-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2026-04-23 — — US disclosed
EP-4107164-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2025-12-03 — — EP disclosed
US-12264173-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2025-04-01 — — US disclosed
US-20240174704-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2024-05-30 — — US disclosed
US-11767337-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2023-09-26 — — US disclosed
US-11767337-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2023-09-26 — — US disclosed
US-11767337-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2023-09-26 — — US disclosed
US-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 — — US disclosed
US-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 — — US disclosed
EP-4107164-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-28 — — EP disclosed
EP-4106877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-28 — — EP disclosed
US-20220356196-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2022-11-10 — — US disclosed
CN-115087659-A Antiviral compounds 吉利德科学公司 2022-09-20 — — CN disclosed
US-20210284670-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-09-16 — — 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 (7 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-20230295201-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 NPC1 343/4885POLB 4269/4885RAB9A 678/4885
US-20220356196-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 NPC1 343/4885POLB 4269/4885RAB9A 678/4885
US-20260109724-A1 ANTIVIRAL COMPOUNDS IRF3, IFNAR1, HAVCR2 NPC1 91/4885POLB 2791/4885RAB9A 620/4885
US-20210284670-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 NPC1 343/4885POLB 4269/4885RAB9A 678/4885
US-12264173-B2 Antiviral compounds MAVS, HAVCR2, ZC3HAV1 NPC1 343/4885POLB 4269/4885RAB9A 678/4885
US-11767337-B2 Antiviral compounds MAVS, HAVCR2, ZC3HAV1 NPC1 343/4885POLB 4269/4885RAB9A 678/4885
US-20240174704-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 NPC1 343/4885POLB 4269/4885RAB9A 678/4885

“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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