SCHEMBL23803235

SCHEMBL23803235

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 1/20 0.36

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
SCHEMBL23803238 1.00 NPC1 (0.42) NPC1RAB9APOLBCES2CES1
SCHEMBL26276560 0.96 NPC1 (0.45) NPC1RAB9APOLBCES2CES1
SCHEMBL28854828 0.88 NPC1 (0.45) NPC1RAB9APOLBCES2CES1
SCHEMBL26294735 0.88 NPC1 (0.45) NPC1RAB9APOLBCES2CES1
SCHEMBL23819276 0.87 NPC1 (0.39) NPC1RAB9APOLBCES2CES1
SCHEMBL16554039 0.87 POLB (0.43) NPC1RAB9APOLBCES2CES1
SCHEMBL16822791 0.87 POLB (0.43) NPC1RAB9APOLBCES2CES1
SCHEMBL28854979 0.87 POLB (0.43) NPC1RAB9APOLBCES2CES1
SCHEMBL16566138 0.87 POLB (0.43) NPC1RAB9APOLBCES2CES1
SCHEMBL16554037 0.87 POLB (0.43) NPC1RAB9APOLBCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (4 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 678/4885POLB 4269/4885
US-20210284670-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 NPC1 343/4885RAB9A 678/4885POLB 4269/4885
US-11767337-B2 Antiviral compounds MAVS, HAVCR2, ZC3HAV1 NPC1 343/4885RAB9A 678/4885POLB 4269/4885
US-20240174704-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 NPC1 343/4885RAB9A 678/4885POLB 4269/4885

“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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