SCHEMBL20907868

SCHEMBL20907868

CC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc(C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ CTSG P08311 6/20 0.36
▸ CMA1 P23946 6/20 0.36
▸ PRSS1 P07477 5/20 0.36
▸ CTRB1 P17538 5/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PTPN1 P18031 1/20 0.34

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
SCHEMBL28889780 1.00 EPHX2 (0.38) EPHX2MEN1KMT2AADRB2ADRB1
SCHEMBL20907601 0.87 MEN1 (0.38) MEN1KMT2AADRB3MAPTPTPN1
SCHEMBL21150257 0.87 MEN1 (0.38) MEN1KMT2AADRB3MAPTPTPN1
SCHEMBL28890357 0.83 MEN1 (0.41) EPHX2MEN1KMT2AADRB2ADRB1
SCHEMBL21148968 0.83 MEN1 (0.41) EPHX2MEN1KMT2AADRB2ADRB1
SCHEMBL21150256 0.83 MEN1 (0.35) MEN1KMT2AMAPTPTPN1
SCHEMBL20907565 0.82 KMT2A (0.40) MEN1KMT2AADRB3KIF11ALDH1A1
SCHEMBL21149522 0.82 PTPN1 (0.41) MEN1KMT2AKIF11ALDH1A1PTPN1
SCHEMBL20908058 0.82 KMT2A (0.40) MEN1KMT2AADRB3KIF11ALDH1A1
SCHEMBL20907878 0.82 PTPN1 (0.41) MEN1KMT2AKIF11ALDH1A1PTPN1

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-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
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 EPHX2 3724/4885MEN1 2814/4885KMT2A 1556/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN EPHX2 3724/4885MEN1 2814/4885KMT2A 1556/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN EPHX2 3724/4885MEN1 2814/4885KMT2A 1556/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN EPHX2 2641/4885MEN1 463/4885KMT2A 1129/4885

“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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