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Sugi Predict / Compounds / SCHEMBL21112423

SCHEMBL21112423

SCHEMBL21112423

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.41
▸ OPRK1 P41145 7/20 0.41
▸ CTSK P43235 1/20 0.41
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ LMNA P02545 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PTPN7 P35236 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CTSL P07711 1/20 0.39

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
SCHEMBL21112426 1.00 PPARA (0.41) PPARAOPRK1CTSKMEN1KMT2A
SCHEMBL20899868 0.90 MEN1 (0.40) OPRK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20899869 0.90 MEN1 (0.40) OPRK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL29640353 0.88 OPRK1 (0.39) PPARAOPRK1CTSKMEN1KMT2A
SCHEMBL21112354 0.85 MGLL (0.38) OPRK1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL21112352 0.85 MGLL (0.38) OPRK1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL21112588 0.84 TRPV1 (0.39) OPRK1MEN1KMT2AMAPTALDH1A1
SCHEMBL21112593 0.84 TRPV1 (0.39) OPRK1MEN1KMT2AMAPTALDH1A1
SCHEMBL20899733 0.82 MEN1 (0.42) OPRK1CTSKMEN1KMT2ALMNA
SCHEMBL20899734 0.82 MEN1 (0.42) OPRK1CTSKMEN1KMT2ALMNA

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 6 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
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

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 PPARA 4811/4885OPRK1 2622/4885CTSK 62/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN PPARA 4811/4885OPRK1 2622/4885CTSK 62/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN PPARA 4811/4885OPRK1 2622/4885CTSK 62/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN PPARA 4833/4885OPRK1 2558/4885CTSK 68/4885

“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.