SCHEMBL20899694

SCHEMBL20899694

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX2 P34913 1/20 0.43
KIF11 P52732 2/20 0.42
SLC22A12 Q96S37 5/20 0.39
MMP2 P08253 1/20 0.38
PPARA Q07869 4/20 0.38
GSK3B P49841 1/20 0.37
HTT P42858 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PPARD Q03181 2/20 0.36
CCR9 P51686 1/20 0.36

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
SCHEMBL20899691 1.00 MEN1 (0.44) MEN1CYP1A2KMT2AEPHX2KIF11
SCHEMBL20899804 0.84 CYP1A2 (0.44) MEN1CYP1A2KMT2ACA1CA2
SCHEMBL20899803 0.84 CYP1A2 (0.44) MEN1CYP1A2KMT2ACA1CA2
SCHEMBL7412854 0.84 MEN1 (0.63) MEN1CYP1A2KMT2AEPHX2KIF11
SCHEMBL28889780 0.80 EPHX2 (0.38) MEN1KMT2AEPHX2KIF11MMP2
SCHEMBL21112534 0.80 CYP1A2 (0.49) MEN1CYP1A2KMT2AEPHX2
SCHEMBL21112536 0.80 CYP1A2 (0.49) MEN1CYP1A2KMT2AEPHX2
SCHEMBL21112387 0.80 CYP1A2 (0.40) MEN1CYP1A2KMT2A
SCHEMBL20899692 0.79 CYP1A2 (0.47) MEN1CYP1A2KMT2AKIF11CA1
SCHEMBL20899802 0.79 MEN1 (0.47) MEN1CYP1A2KMT2AEPHX2KIF11

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.