Sugi Predict

Sugi Predict / Compounds / SCHEMBL20907784

SCHEMBL20907784

SCHEMBL20907784

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ AAK1 Q2M2I8 2/20 0.39
▸ CTSL P07711 2/20 0.36
▸ CTSK P43235 1/20 0.36
▸ CTSS P25774 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTPN1 P18031 1/20 0.34

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
SCHEMBL28403743 1.00 KMT2A (0.39) KMT2AMEN1AAK1CTSLCTSK
SCHEMBL22579572 0.93 KMT2A (0.40) KMT2AMEN1AAK1CTSLCTSK
SCHEMBL22579540 0.93 AAK1 (0.40) KMT2AMEN1AAK1CTSLCTSS
SCHEMBL28407518 0.93 AAK1 (0.40) KMT2AMEN1AAK1CTSLCTSS
SCHEMBL20899734 0.90 MEN1 (0.42) KMT2AMEN1AAK1CTSLCTSK
SCHEMBL20899733 0.90 MEN1 (0.42) KMT2AMEN1AAK1CTSLCTSK
SCHEMBL28399106 0.89 CTSS (0.39) KMT2AMEN1AAK1CTSLCTSK
SCHEMBL28399104 0.89 CTSS (0.39) KMT2AMEN1AAK1CTSLCTSK
SCHEMBL28404540 0.86 AAK1 (0.37) KMT2AMEN1AAK1CTSSOPRK1
SCHEMBL29640353 0.84 OPRK1 (0.39) KMT2AMEN1AAK1CTSKCTSS

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
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-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
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 1556/4885MEN1 2814/4885AAK1 1993/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN KMT2A 1556/4885MEN1 2814/4885AAK1 1993/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN KMT2A 1556/4885MEN1 2814/4885AAK1 1993/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN KMT2A 1129/4885MEN1 463/4885AAK1 1859/4885

“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.