Sugi Predict

Sugi Predict / Compounds / SCHEMBL20899802

SCHEMBL20899802

SCHEMBL20899802

CC(C)(C)CC(N)(C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ APP P05067 1/20 0.41
▸ MDH1 P40925 1/20 0.41
▸ MDH2 P40926 1/20 0.41
▸ SRD5A2 P31213 2/20 0.41
▸ PTPN1 P18031 2/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ NR4A3 Q92570 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ PPARA Q07869 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38

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
SCHEMBL20899801 1.00 MEN1 (0.47) MEN1CYP1A2KMT2ACES2CES1
SCHEMBL21112536 0.84 CYP1A2 (0.49) MEN1CYP1A2KMT2ALMNAEPHX2
SCHEMBL21112534 0.84 CYP1A2 (0.49) MEN1CYP1A2KMT2ALMNAEPHX2
SCHEMBL20899692 0.83 CYP1A2 (0.47) MEN1CYP1A2KMT2ALMNAKIF11
SCHEMBL20899718 0.83 CYP1A2 (0.47) MEN1CYP1A2KMT2ALMNAKIF11
SCHEMBL20899804 0.79 CYP1A2 (0.44) MEN1CYP1A2KMT2APTPN1
SCHEMBL20899691 0.79 MEN1 (0.44) MEN1CYP1A2KMT2AHTTGSK3B
SCHEMBL20899803 0.79 CYP1A2 (0.44) MEN1CYP1A2KMT2APTPN1
SCHEMBL20899694 0.79 MEN1 (0.44) MEN1CYP1A2KMT2AHTTGSK3B
SCHEMBL20907878 0.79 PTPN1 (0.41) MEN1KMT2ACES2CES1MDH1

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
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
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 MEN1 2814/4885CYP1A2 2161/4885KMT2A 1556/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885CYP1A2 2161/4885KMT2A 1556/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885CYP1A2 2161/4885KMT2A 1556/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MEN1 463/4885CYP1A2 2655/4885KMT2A 1129/4885

“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.