SCHEMBL20907979

SCHEMBL20907979

CC(C)OC(=O)/C(=N\[S@@+]([O-])C(C)(C)C)c1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.38
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL17313286 0.81 KMT2A (0.39) ADRA1APDE4D
SCHEMBL29640184 0.79 ALDH1A1 (0.37) ADRA1APDE4DCES2CES1
SCHEMBL28890374 0.79 ALDH1A1 (0.37) ADRA1APDE4DCES2CES1
SCHEMBL29457193 0.79 ALDH1A1 (0.37) ADRA1APDE4DCES2CES1
SCHEMBL14889683 0.78 ALDH1A1 (0.39) SLC6A3
SCHEMBL14903758 0.78 ALDH1A1 (0.39) SLC6A3
SCHEMBL14889682 0.78 ALDH1A1 (0.39) SLC6A3
SCHEMBL14889681 0.78 ALDH1A1 (0.39) SLC6A3
SCHEMBL14856132 0.76 ALDH1A1 (0.33)
SCHEMBL14856131 0.76 ALDH1A1 (0.33)

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 SLC6A3 1513/4885ADRA1A 3402/4885PDE4D 2123/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN SLC6A3 1513/4885ADRA1A 3402/4885PDE4D 2123/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN SLC6A3 1513/4885ADRA1A 3402/4885PDE4D 2123/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN SLC6A3 1761/4885ADRA1A 3418/4885PDE4D 2422/4885

“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.