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Sugi Predict / Compounds / SCHEMBL21148968

SCHEMBL21148968

SCHEMBL21148968

CC(C)OC(=O)[C@@](N)(CC(C)(C)C)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PTPN1 P18031 1/20 0.39
▸ ADRB3 P13945 4/20 0.38
▸ ADRB2 P07550 3/20 0.38
▸ ADRB1 P08588 3/20 0.38
▸ EPHX2 P34913 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ ESRRG P62508 1/20 0.33
▸ CYP1A2 P05177 3/20 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
SCHEMBL28890357 1.00 MEN1 (0.41) MEN1KMT2APTPN1ADRB3ADRB2
SCHEMBL20907565 0.87 KMT2A (0.40) MEN1KMT2APTPN1ADRB3NPC1
SCHEMBL20908058 0.87 KMT2A (0.40) MEN1KMT2APTPN1ADRB3NPC1
SCHEMBL21149522 0.87 PTPN1 (0.41) MEN1KMT2APTPN1LMNANPSR1
SCHEMBL20907878 0.87 PTPN1 (0.41) MEN1KMT2APTPN1LMNANPSR1
SCHEMBL20907868 0.83 EPHX2 (0.38) MEN1KMT2APTPN1ADRB3ADRB2
SCHEMBL21150257 0.83 MEN1 (0.38) MEN1KMT2APTPN1ADRB3SMN1; SMN2
SCHEMBL20907601 0.83 MEN1 (0.38) MEN1KMT2APTPN1ADRB3SMN1; SMN2
SCHEMBL28889780 0.83 EPHX2 (0.38) MEN1KMT2APTPN1ADRB3ADRB2
SCHEMBL20908060 0.80 FFAR4 (0.36) MEN1KMT2AADRB2MAPTHPGD

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
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 (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 MEN1 2814/4885KMT2A 1556/4885PTPN1 3199/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885PTPN1 3199/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885PTPN1 3199/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MEN1 463/4885KMT2A 1129/4885PTPN1 3909/4885

“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.

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