SCHEMBL23818598

SCHEMBL23818598

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.47
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ BCHE P06276 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ MAPT P10636 5/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CES2 O00748 1/20 0.45
▸ CES1 P23141 1/20 0.45
▸ CRHBP P24387 1/20 0.45

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
SCHEMBL23818597 0.89 CA1 (0.52) CA1CA2BCHEACHEMAPT
SCHEMBL12654907 0.89 MGLL (0.46) MGLLCA1CA2BCHEACHE
SCHEMBL15003930 0.88 ALDH1A1 (0.46) MGLLCA1CA2BCHEACHE
SCHEMBL20059145 0.88 ALDH1A1 (0.46) MGLLCA1CA2BCHEACHE
SCHEMBL17403979 0.88 ALDH1A1 (0.46) MGLLCA1CA2BCHEACHE
SCHEMBL23819198 0.85 ALDH1A1 (0.51) CA1CA2BCHEACHEMAPT
SCHEMBL28854876 0.85 MGLL (0.46) MGLLCA1CA2BCHEACHE
SCHEMBL28854836 0.85 MGLL (0.46) MGLLCA1CA2BCHEACHE
SCHEMBL28854978 0.85 MGLL (0.46) MGLLCA1CA2BCHEACHE
SCHEMBL28855001 0.85 MGLL (0.46) MGLLCA1CA2BCHEACHE

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 3 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-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 MGLL 1257/4885CA1 4866/4885CA2 4718/4885
US-20210284670-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 MGLL 1257/4885CA1 4866/4885CA2 4718/4885
US-11767337-B2 Antiviral compounds MAVS, HAVCR2, ZC3HAV1 MGLL 1257/4885CA1 4866/4885CA2 4718/4885

“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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