SCHEMBL23819198

SCHEMBL23819198

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ CES2 O00748 1/20 0.51
▸ CES1 P23141 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MAPT P10636 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ BCHE P06276 1/20 0.46
▸ ACHE P22303 1/20 0.46

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
SCHEMBL16566193 0.90 CA1 (0.49) ALDH1A1MAPK1CA1CA2LMNA
SCHEMBL30497665 0.90 ALDH1A1 (0.49) ALDH1A1MAPK1CA1CA2LMNA
SCHEMBL18742082 0.89 CA1 (0.51) ALDH1A1MAPK1CA1CA2LMNA
SCHEMBL26277253 0.89 CA1 (0.43) ALDH1A1MAPK1CA1CA2LMNA
SCHEMBL23818597 0.88 CA1 (0.52) ALDH1A1MAPK1CA1CA2LMNA
SCHEMBL14627742 0.87 CA1 (0.49) ALDH1A1MAPK1CA1CA2LMNA
SCHEMBL12621311 0.87 CA1 (0.49) ALDH1A1MAPK1CA1CA2LMNA
SCHEMBL19361265 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1CA1CA2LMNA
SCHEMBL15343942 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1CA1CA2LMNA
SCHEMBL15343943 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1CA1CA2LMNA

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 ALDH1A1 1459/4885MAPK1 3406/4885CA1 4866/4885
US-20210284670-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 ALDH1A1 1459/4885MAPK1 3406/4885CA1 4866/4885
US-11767337-B2 Antiviral compounds MAVS, HAVCR2, ZC3HAV1 ALDH1A1 1459/4885MAPK1 3406/4885CA1 4866/4885

“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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