SCHEMBL21149555

SCHEMBL21149555

C=C(C)C[C@](NC(=O)OCc1ccccc1)(C(=O)OC(C)C)c1ccc(-c2cnn(C(F)F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 9/20 0.35
MGLL Q99685 1/20 0.35
ROCK2 O75116 1/20 0.34
EP300 Q09472 3/20 0.33
CTSS P25774 1/20 0.32
ATM Q13315 1/20 0.32
NAAA Q02083 1/20 0.31

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
SCHEMBL28403733 1.00 MEN1 (0.36) MEN1KMT2AELANEMGLLROCK2
SCHEMBL23114939 0.94 MEN1 (0.37) MEN1KMT2AELANEMGLLROCK2
SCHEMBL21149554 0.94 MEN1 (0.37) MEN1KMT2AELANEMGLLROCK2
SCHEMBL21112156 0.91 MGLL (0.37) MEN1KMT2AELANEMGLLROCK2
SCHEMBL21112155 0.91 MGLL (0.37) MEN1KMT2AELANEMGLLROCK2
SCHEMBL28407633 0.89 MEN1 (0.33) MEN1KMT2AELANEMGLLROCK2
SCHEMBL21149553 0.89 MEN1 (0.33) MEN1KMT2AELANEMGLLROCK2
SCHEMBL28407635 0.89 MEN1 (0.33) MEN1KMT2AELANEMGLLROCK2
SCHEMBL29640161 0.88 EP300 (0.35) MEN1KMT2AELANEMGLLROCK2
SCHEMBL21112176 0.84 MGLL (0.38) MEN1KMT2AELANEMGLLROCK2

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
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-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 (3 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-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885ELANE 176/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885ELANE 176/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MEN1 463/4885KMT2A 1129/4885ELANE 113/4885

“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.