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SCHEMBL20908008

SCHEMBL20908008

COC(=O)c1cc([C@@H](COC(=O)NC2CC2)NC(=O)OC(C)(C)C)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ BTK Q06187 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ KDM4D Q6B0I6 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.34

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
SCHEMBL21112134 0.91 KMT2A (0.39) DRD2DRD3BTKKMT2AL3MBTL1
SCHEMBL20908010 0.91 KMT2A (0.39) DRD2DRD3BTKKMT2AL3MBTL1
SCHEMBL29640289 0.90 BTK (0.39) DRD2DRD3BTKKMT2AL3MBTL1
SCHEMBL21112802 0.90 BTK (0.39) DRD2DRD3BTKKMT2AL3MBTL1
SCHEMBL20907825 0.90 BTK (0.39) DRD2DRD3BTKKMT2AL3MBTL1
SCHEMBL20907821 0.84 DRD2 (0.34) DRD2DRD3BTKKMT2AL3MBTL1
SCHEMBL30557358 0.81 AAK1 (0.34) KMT2AAAK1SLC6A3ATRGAA
SCHEMBL20908005 0.81 ATR (0.41) KMT2AAAK1ATRGAAMEN1
SCHEMBL20907823 0.79 BTK (0.36) DRD2DRD3BTKKMT2AL3MBTL1
SCHEMBL21112359 0.79 BTK (0.36) DRD2DRD3BTKKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 — — CN disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 — — US 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
WO-2019075291-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-04-18 — — WO 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 DRD2 4639/4885DRD3 4235/4885BTK 3558/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN DRD2 4639/4885DRD3 4235/4885BTK 3558/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN DRD2 4639/4885DRD3 4235/4885BTK 3558/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN DRD2 4361/4885DRD3 3768/4885BTK 3523/4885

“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.