SCHEMBL20899807

SCHEMBL20899807

CC(C)(C)C[C@](NC(=O)OCc1ccccc1)(C(=O)O)c1ccc2nc(OS(=O)(=O)C(F)(F)F)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PLAU P00749 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ P2RX7 Q99572 4/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ CTSS P25774 2/20 0.33
▸ CTSL P07711 2/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPRB P23467 1/20 0.33
▸ ACP1 P24666 1/20 0.33

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
SCHEMBL20899809 1.00 MEN1 (0.38) MEN1KMT2APLAUMGLLCA12
SCHEMBL29640237 0.91 MEN1 (0.36) MEN1KMT2APLAUMGLLCA12
SCHEMBL21112128 0.85 MEN1 (0.40) MEN1KMT2APLAUMGLLCA12
SCHEMBL21112129 0.85 MEN1 (0.40) MEN1KMT2APLAUMGLLCA12
SCHEMBL21112560 0.84 PLAU (0.41) MEN1KMT2APLAUMGLLCA12
SCHEMBL21112557 0.84 PLAU (0.41) MEN1KMT2APLAUMGLLCA12
SCHEMBL21112174 0.82 CTSS (0.39) MEN1KMT2APLAUMGLLCTSS
SCHEMBL21112599 0.82 MEN1 (0.39) MEN1KMT2APLAUMGLLCA12
SCHEMBL21112173 0.82 CTSS (0.39) MEN1KMT2APLAUMGLLCTSS
SCHEMBL21112602 0.82 MEN1 (0.39) MEN1KMT2APLAUMGLLCA12

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 1556/4885PLAU 566/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885PLAU 566/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885PLAU 566/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MEN1 463/4885KMT2A 1129/4885PLAU 401/4885

“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.

Send feedback