SCHEMBL20908215

SCHEMBL20908215

CC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.36
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ F11 P03951 1/20 0.35
▸ AR P10275 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ THRB P10828 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP12 P39900 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
Hydrochloric Acid SCHEMBL29640280 0.99 CA12 (0.37) CA12CA9KDM4ETP53LMNA
SCHEMBL20900144 0.83 CA12 (0.43) CA12CA9KDM4ETP53LMNA
Hydrochloric Acid SCHEMBL21112668 0.82 CA12 (0.42) CA12CA9KDM4ETP53LMNA
Hydrochloric Acid SCHEMBL21112670 0.82 CA12 (0.42) CA12CA9KDM4ETP53LMNA
SCHEMBL20908218 0.77 BRPF1 (0.41) CA12CA9MEN1KMT2AMMP1
SCHEMBL21148933 0.77 BRPF1 (0.41) CA12CA9MEN1KMT2AMMP1
SCHEMBL23114826 0.74 TACR1 (0.37) LMNAPKMMEN1KMT2AMMP1
SCHEMBL21148968 0.74 MEN1 (0.41) TP53LMNAALDH1A1MAPTHPGD
SCHEMBL28890357 0.74 MEN1 (0.41) TP53LMNAALDH1A1MAPTHPGD
SCHEMBL21149522 0.73 PTPN1 (0.41) LMNAL3MBTL1ALDH1A1MEN1KMT2A

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 5 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-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
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 CA12 2993/4885CA9 1237/4885KDM4E 546/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CA12 2993/4885CA9 1237/4885KDM4E 546/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CA12 2993/4885CA9 1237/4885KDM4E 546/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN CA12 2689/4885CA9 1230/4885KDM4E 940/4885

“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.

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