Sugi Predict

Sugi Predict / Compounds / SCHEMBL20907704

SCHEMBL20907704

SCHEMBL20907704

CC(C)OC(=O)C(CC(C)(C)C)(NC(=O)OCc1ccccc1)c1ccc2nc(C3CC3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.36
▸ AAK1 Q2M2I8 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CTSK P43235 3/20 0.34
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CYP3A4 P08684 5/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ ELANE P08246 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
SCHEMBL28412390 1.00 CTSS (0.36) CTSSAAK1MEN1KMT2ACTSK
SCHEMBL29640147 1.00 CTSS (0.36) CTSSAAK1MEN1KMT2ACTSK
SCHEMBL20907707 0.92 CYP2C9 (0.33) CTSSAAK1KMT2ACTSKCCNE1
SCHEMBL21112285 0.90 MEN1 (0.37) CTSSMEN1KMT2ACTSKCCNE1
SCHEMBL21112283 0.90 MEN1 (0.37) CTSSMEN1KMT2ACTSKCCNE1
SCHEMBL29640241 0.88 MEN1 (0.37) CTSSAAK1MEN1KMT2ASMN1; SMN2
SCHEMBL20907560 0.88 MEN1 (0.37) CTSSAAK1MEN1KMT2ASMN1; SMN2
SCHEMBL28407708 0.88 MEN1 (0.37) CTSSAAK1MEN1KMT2ASMN1; SMN2
SCHEMBL23114825 0.87 MEN1 (0.38) CTSSAAK1MEN1KMT2AATM
SCHEMBL20907561 0.87 PLAU (0.39) CTSSAAK1MEN1KMT2AATM

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 6 patents. 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
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
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 CTSS 27/4885AAK1 1993/4885MEN1 2814/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CTSS 27/4885AAK1 1993/4885MEN1 2814/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CTSS 27/4885AAK1 1993/4885MEN1 2814/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN CTSS 31/4885AAK1 1859/4885MEN1 463/4885

“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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