SCHEMBL21112828

SCHEMBL21112828

CC(C)(C)C[C@](N)(C(=O)O)c1ccc2c(ccc3ncnn32)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 2/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL21112831 1.00 EGLN1 (0.33) EGLN1MEN1CYP1A2KMT2A
SCHEMBL21149589 0.86 — —
SCHEMBL20907562 0.86 — —
SCHEMBL29640326 0.86 — —
SCHEMBL21112778 0.78 SLC22A12 (0.34) —
SCHEMBL21112780 0.78 SLC22A12 (0.34) —
SCHEMBL21112574 0.75 BRPF1 (0.47) MEN1CYP1A2KMT2A
SCHEMBL21112570 0.75 BRPF1 (0.47) MEN1CYP1A2KMT2A
SCHEMBL21112713 0.74 MEN1 (0.36) MEN1KMT2A
SCHEMBL21112715 0.74 MEN1 (0.36) MEN1KMT2A

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
EP-3694846-B1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2024-05-08 — — EP disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 — — US disclosed
US-20210078959-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2021-03-18 — — US disclosed
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 — — US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 — — 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-20210078959-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN EGLN1 472/4885MEN1 2814/4885CYP1A2 2161/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN EGLN1 472/4885MEN1 2814/4885CYP1A2 2161/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN EGLN1 472/4885MEN1 2814/4885CYP1A2 2161/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN EGLN1 208/4885MEN1 463/4885CYP1A2 2655/4885

“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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