SCHEMBL23818599

SCHEMBL23818599

COC(=O)[C@H](C)NP(=O)(OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ TP53 P04637 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ BTN3A1 O00481 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ AKR1C3 P42330 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42

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
SCHEMBL23803340 0.92 NPC1 (0.50) NPC1RAB9ATP53SMN1; SMN2BTN3A1
SCHEMBL23803337 0.92 NPC1 (0.50) NPC1RAB9ATP53SMN1; SMN2BTN3A1
SCHEMBL19361265 0.89 ALDH1A1 (0.48) NPC1RAB9ATP53SMN1; SMN2BTN3A1
SCHEMBL15343942 0.89 ALDH1A1 (0.48) NPC1RAB9ATP53SMN1; SMN2BTN3A1
SCHEMBL28841738 0.89 ALDH1A1 (0.48) NPC1RAB9ATP53SMN1; SMN2BTN3A1
SCHEMBL15343943 0.89 ALDH1A1 (0.48) NPC1RAB9ATP53SMN1; SMN2BTN3A1
SCHEMBL23819216 0.88 BTN3A1 (0.44) NPC1RAB9ATP53SMN1; SMN2BTN3A1
SCHEMBL18953048 0.88 BTN3A1 (0.52) NPC1RAB9ATP53SMN1; SMN2BTN3A1
SCHEMBL17403978 0.88 BTN3A1 (0.52) NPC1RAB9ATP53SMN1; SMN2BTN3A1
SCHEMBL18973479 0.88 BTN3A1 (0.52) NPC1RAB9ATP53SMN1; SMN2BTN3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20230295201-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 NPC1 343/4885RAB9A 678/4885TP53 3535/4885
US-20210284670-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 NPC1 343/4885RAB9A 678/4885TP53 3535/4885
US-11767337-B2 Antiviral compounds MAVS, HAVCR2, ZC3HAV1 NPC1 343/4885RAB9A 678/4885TP53 3535/4885

“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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