SCHEMBL29640359

SCHEMBL29640359

CC(C[C@](N)(C(=O)OC(C)C)c1ccc(-c2cnn(C(F)F)c2)cc1)CS(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ EP300 Q09472 5/20 0.31
▸ CD274 Q9NZQ7 1/20 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
SCHEMBL20908223 1.00 MKNK1 (0.32) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL21112675 0.89 EP300 (0.33) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL21112672 0.89 EP300 (0.33) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL28403738 0.87 MKNK1 (0.35) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL28403736 0.87 MKNK1 (0.35) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL21150362 0.86 JAK1 (0.36) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL20907580 0.86 JAK1 (0.36) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL30557222 0.83 BRD4 (0.35) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL21150320 0.82 MKNK1 (0.34) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL29640364 0.75 ELANE (0.31) —

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-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 — — 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-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MKNK1 881/4885MKNK2 1707/4885BRD4 1637/4885

“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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