SCHEMBL26289173

SCHEMBL26289173

CCOC(=O)[C@H](Cc1ccccc1)NP(=O)(OC[C@@](C#N)(OC)[C@@H](O)[C@@H](O)c1ccc2c(N)ncnn12)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ RIPK1 Q13546 7/20 0.32
▸ CTSG P08311 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SERPINA3 P01011 1/20 0.31
▸ BTN3A1 O00481 2/20 0.30

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
SCHEMBL23819281 1.00 HPRT1 (0.36) HPRT1ALDH1A1RIPK1CTSGGAA
SCHEMBL26292462 0.89 RIPK1 (0.32) RIPK1BTN3A1
SCHEMBL26290564 0.88 RIPK1 (0.32) RIPK1BTN3A1
SCHEMBL23818643 0.88 BTN3A1 (0.41) RIPK1BTN3A1
SCHEMBL23818622 0.87 BTN3A1 (0.43) RIPK1BTN3A1
SCHEMBL26335903 0.87 BTN3A1 (0.43) RIPK1BTN3A1
SCHEMBL26290368 0.86 BTN3A1 (0.42) RIPK1BTN3A1
SCHEMBL23818639 0.85 BTN3A1 (0.37) RIPK1BTN3A1
SCHEMBL26290847 0.85 BTN3A1 (0.38) RIPK1BTN3A1
SCHEMBL26290623 0.85 RIPK1 (0.31) RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 — — 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 (1 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 HPRT1 150/4885ALDH1A1 1459/4885RIPK1 666/4885

“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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