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SCHEMBL20908005

SCHEMBL20908005

COC(=O)c1cc([C@@H](CO)NC(=O)OC(C)(C)C)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CASR P41180 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ ALOX12 P18054 1/20 0.37

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
SCHEMBL20899699 0.89 CTSS (0.39) ALDH1A1S1PR3AAK1MAPTHPGD
SCHEMBL21112205 0.89 CTSS (0.39) ALDH1A1S1PR3AAK1MAPTHPGD
SCHEMBL20908144 0.88 S1PR3 (0.38) ALDH1A1S1PR3CA12CA1CA2
SCHEMBL30557242 0.83 AAK1 (0.43) ALDH1A1S1PR3AAK1MAPTHPGD
SCHEMBL28399677 0.83 AAK1 (0.43) ALDH1A1S1PR3AAK1MAPTHPGD
SCHEMBL20907493 0.83 AAK1 (0.43) ALDH1A1S1PR3AAK1MAPTHPGD
SCHEMBL20908105 0.83 MAPK1 (0.42) ALDH1A1S1PR3AAK1MAPTHPGD
SCHEMBL29640301 0.83 MAPK1 (0.42) ALDH1A1S1PR3AAK1MAPTHPGD
SCHEMBL20908008 0.81 DRD2 (0.38) ATRMEN1KMT2AAAK1HPGD
SCHEMBL20907479 0.80 TRPA1 (0.43) S1PR3AAK1CTSSCTSK

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
CN-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 — — CN disclosed
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
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 ATR 3767/4885ALDH1A1 1247/4885TSHR 4797/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN ATR 3767/4885ALDH1A1 1247/4885TSHR 4797/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN ATR 3767/4885ALDH1A1 1247/4885TSHR 4797/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN ATR 3929/4885ALDH1A1 1705/4885TSHR 4832/4885

“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.