SCHEMBL20908010

SCHEMBL20908010

CC(C)(C)OC(=O)N[C@H](COC(=O)NC1CC1)c1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 5/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
DRD3 P35462 2/20 0.38
BTK Q06187 2/20 0.37
AAK1 Q2M2I8 1/20 0.37
MAPK8 P45983 1/20 0.35
CACNA1B Q00975 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35
NFKB1 P19838 1/20 0.35

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 1.00 KMT2A (0.39) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL20907825 0.91 BTK (0.39) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL21112802 0.91 BTK (0.39) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL29640289 0.91 BTK (0.39) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL20908008 0.91 DRD2 (0.38) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL20907821 0.85 DRD2 (0.34) KMT2AL3MBTL1DRD2KDM1AMAOB
SCHEMBL21112210 0.81 AAK1 (0.35) DRD2AAK1KDM4EALDH1A1GAA
SCHEMBL21112205 0.81 CTSS (0.39) AAK1KDM4EALDH1A1GAAMAPT
SCHEMBL20899699 0.81 CTSS (0.39) AAK1KDM4EALDH1A1GAAMAPT
SCHEMBL21112408 0.80 TSHR (0.38) KMT2AKDM4EALDH1A1GAAHPGD

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 12 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
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-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-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
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 KMT2A 1556/4885L3MBTL1 2931/4885DRD2 4639/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN KMT2A 1556/4885L3MBTL1 2931/4885DRD2 4639/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN KMT2A 1556/4885L3MBTL1 2931/4885DRD2 4639/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN KMT2A 1129/4885L3MBTL1 3858/4885DRD2 4361/4885

“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.