SCHEMBL29640301

SCHEMBL29640301

CC(C)(C)OC(=O)N[C@H](CO)c1ccc(Cl)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.42
RPS6KA1 Q15418 3/20 0.42
APP P05067 1/20 0.40
S1PR3 Q99500 2/20 0.40
CCNE1 P24864 4/20 0.40
CDK2 P24941 4/20 0.40
AAK1 Q2M2I8 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
TRPA1 O75762 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
CCNA2 P20248 1/20 0.37
MAPK3 P27361 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
SCHEMBL20908105 1.00 MAPK1 (0.42) MAPK1RPS6KA1APPS1PR3CCNE1
SCHEMBL5662378 0.88 AAK1 (0.41) MAPK1APPS1PR3AAK1ALDH1A1
SCHEMBL20907724 0.88 AAK1 (0.41) MAPK1APPS1PR3AAK1ALDH1A1
SCHEMBL20907493 0.85 AAK1 (0.43) S1PR3AAK1GAAKDM4EALDH1A1
SCHEMBL30557242 0.85 AAK1 (0.43) S1PR3AAK1GAAKDM4EALDH1A1
SCHEMBL28399677 0.85 AAK1 (0.43) S1PR3AAK1GAAKDM4EALDH1A1
SCHEMBL21112205 0.84 CTSS (0.39) S1PR3AAK1GAAKDM4EALDH1A1
SCHEMBL17844759 0.84 AAK1 (0.47) MAPK1AAK1GAAKDM4EALDH1A1
SCHEMBL20899699 0.84 CTSS (0.39) S1PR3AAK1GAAKDM4EALDH1A1
SCHEMBL20908005 0.83 ATR (0.41) MAPK1S1PR3AAK1GAAKDM4E

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MAPK1 228/4885RPS6KA1 1978/4885APP 399/4885

“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.