SCHEMBL20900263

SCHEMBL20900263

CC(C)(C)C[C@](NC(=S)NC(=O)OCc1ccccc1)(C(=O)O)c1ccc(-c2cnn(C(F)F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ EP300 Q09472 3/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ NAAA Q02083 3/20 0.32
▸ MMP12 P39900 1/20 0.32

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
SCHEMBL20900266 1.00 MGLL (0.35) MGLLROCK2CTSLCTSBCTSS
SCHEMBL21148892 0.92 ELANE (0.33) MGLLROCK2CTSSEP300MEN1
SCHEMBL28402063 0.92 ELANE (0.33) MGLLROCK2CTSSEP300MEN1
SCHEMBL21112313 0.86 MGLL (0.32) MGLLROCK2EP300ITGA4ITGB7
SCHEMBL21112135 0.86 CTSS (0.36) MGLLROCK2CTSLCTSBCTSS
SCHEMBL22399938 0.85 PLAU (0.33) MGLLCTSLCTSBCTSSMEN1
SCHEMBL21112175 0.82 MGLL (0.38) MGLLROCK2CTSSEP300ITGA4
SCHEMBL21112176 0.82 MGLL (0.38) MGLLROCK2CTSSEP300ITGA4
SCHEMBL28404543 0.81 CTSS (0.34) MGLLROCK2CTSLCTSBCTSS
SCHEMBL29640364 0.81 ELANE (0.31) MGLLROCK2ELANE

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 8 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
EP-3694846-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS Gilead Sciences, Inc. (US) 2020-08-19 — — EP disclosed
CN-111212832-A 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2020-05-29 — — CN 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 MGLL 2163/4885ROCK2 1528/4885CTSL 41/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MGLL 2163/4885ROCK2 1528/4885CTSL 41/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MGLL 2163/4885ROCK2 1528/4885CTSL 41/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MGLL 2329/4885ROCK2 1543/4885CTSL 46/4885

“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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