SCHEMBL20899747

SCHEMBL20899747

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 2/20 0.45
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
OGG1 O15527 1/20 0.37
KIF11 P52732 1/20 0.35
FPR2 P25090 1/20 0.34
PPARA Q07869 3/20 0.33
PPARD Q03181 2/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
MME P08473 1/20 0.33
GRB2 P62993 1/20 0.33
BLM P54132 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CES2 O00748 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
SCHEMBL20899745 1.00 MEN1 (0.45) MEN1KMT2ACYP1A2CA1CA2
SCHEMBL20899724 0.88 MEN1 (0.43) MEN1KMT2ACYP1A2CA1CA2
SCHEMBL20899723 0.88 MEN1 (0.43) MEN1KMT2ACYP1A2CA1CA2
SCHEMBL20899718 0.87 CYP1A2 (0.47) MEN1KMT2ACYP1A2CA1CA2
SCHEMBL20899692 0.87 CYP1A2 (0.47) MEN1KMT2ACYP1A2CA1CA2
SCHEMBL28890354 0.80 PTPN1 (0.40) MEN1KMT2ACA1CA2CA5A
SCHEMBL20907785 0.80 PTPN1 (0.40) MEN1KMT2ACA1CA2CA5A
SCHEMBL20899802 0.77 MEN1 (0.47) MEN1KMT2ACYP1A2KIF11PPARA
SCHEMBL20899801 0.77 MEN1 (0.47) MEN1KMT2ACYP1A2KIF11PPARA
SCHEMBL6135495 0.73 CYP1A2 (0.49) MEN1KMT2ACYP1A2CA1CA2

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

“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.