SCHEMBL20899733

SCHEMBL20899733

CC(C)(F)C[C@](NC(=S)NC(=O)OCc1ccccc1)(C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
P2RX7 Q99572 2/20 0.39
AAK1 Q2M2I8 2/20 0.39
MGLL Q99685 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
CTSL P07711 1/20 0.37
CTSK P43235 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
TACR1 P25103 2/20 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
SCHEMBL20899734 1.00 MEN1 (0.42) MEN1KMT2AP2RX7AAK1MGLL
SCHEMBL20899868 0.93 MEN1 (0.40) MEN1KMT2AP2RX7AAK1MGLL
SCHEMBL20899869 0.93 MEN1 (0.40) MEN1KMT2AP2RX7AAK1MGLL
SCHEMBL22558400 0.92 MEN1 (0.43) MEN1KMT2AP2RX7AAK1MGLL
SCHEMBL22558397 0.92 MEN1 (0.43) MEN1KMT2AP2RX7AAK1MGLL
SCHEMBL20907784 0.90 KMT2A (0.39) MEN1KMT2AP2RX7AAK1MGLL
SCHEMBL28403743 0.90 KMT2A (0.39) MEN1KMT2AP2RX7AAK1MGLL
SCHEMBL20899908 0.88 CTSS (0.40) MEN1KMT2AP2RX7AAK1GAA
SCHEMBL20899906 0.88 CTSS (0.40) MEN1KMT2AP2RX7AAK1GAA
SCHEMBL20899946 0.85 GAA (0.37) MEN1KMT2AP2RX7AAK1GAA

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 2814/4885KMT2A 1556/4885P2RX7 4242/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885P2RX7 4242/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885P2RX7 4242/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MEN1 463/4885KMT2A 1129/4885P2RX7 3956/4885

“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.