Sugi Predict

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SCHEMBL21150265

SCHEMBL21150265

COc1ccc([C@](N)(CC(C)(C)C)C(=O)OC(C)C)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CPS1 P31327 2/20 0.35
▸ PRKCZ Q05513 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MTNR1B P49286 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ SELE P16581 1/20 0.34
▸ VCAM1 P19320 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ SCN1A P35498 1/20 0.33
▸ SCN2A Q99250 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
SCHEMBL20907524 1.00 KIF11 (0.43) KIF11TDP1L3MBTL1CPS1PRKCZ
Hydrochloric Acid SCHEMBL28401748 0.99 KIF11 (0.42) KIF11TDP1L3MBTL1CPS1PRKCZ
Hydrochloric Acid SCHEMBL28401746 0.99 KIF11 (0.42) KIF11TDP1L3MBTL1CPS1PRKCZ
SCHEMBL28401181 0.84 AAK1 (0.36) L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL20908009 0.84 AAK1 (0.36) L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL21112677 0.84 KIF11 (0.46) KIF11CPS1PRKCZ
SCHEMBL21112678 0.84 KIF11 (0.46) KIF11CPS1PRKCZ
Hydrochloric Acid SCHEMBL21112187 0.83 KIF11 (0.46) KIF11TDP1CPS1PRKCZSMN1; SMN2
Hydrochloric Acid SCHEMBL21112188 0.83 KIF11 (0.46) KIF11TDP1CPS1PRKCZSMN1; SMN2
SCHEMBL20907832 0.82 MAP2K1 (0.32) —

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 KIF11 1887/4885TDP1 1859/4885L3MBTL1 2931/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN KIF11 1887/4885TDP1 1859/4885L3MBTL1 2931/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN KIF11 2342/4885TDP1 2226/4885L3MBTL1 3858/4885

“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.