SCHEMBL21112189

SCHEMBL21112189

CC(C)(C)C[C@](N)(C(=O)O)c1ccc(-n2nccn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 1/20 0.32
▸ SYK P43405 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ KAT2B Q92831 1/20 0.31
▸ GRM5 P41594 1/20 0.30
▸ GRM1 Q13255 1/20 0.30
▸ SHBG P04278 1/20 0.30

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
SCHEMBL21112190 1.00 MEN1 (0.41) MEN1CYP1A2KMT2APOLBSYK
SCHEMBL21149466 0.82 MEN1 (0.35) MEN1KMT2A
SCHEMBL20907804 0.82 MEN1 (0.35) MEN1KMT2A
SCHEMBL21112527 0.80 QPCT (0.45) MEN1CYP1A2KMT2APOLBLMNA
SCHEMBL21112530 0.80 QPCT (0.45) MEN1CYP1A2KMT2APOLBLMNA
SCHEMBL21112536 0.77 CYP1A2 (0.49) MEN1CYP1A2KMT2APOLBKDM4E
SCHEMBL21112534 0.77 CYP1A2 (0.49) MEN1CYP1A2KMT2APOLBKDM4E
SCHEMBL20899718 0.75 CYP1A2 (0.47) MEN1CYP1A2KMT2APOLBLMNA
SCHEMBL20899692 0.75 CYP1A2 (0.47) MEN1CYP1A2KMT2APOLBLMNA
SCHEMBL20899801 0.75 MEN1 (0.47) MEN1CYP1A2KMT2AKDM4ELMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694846-B1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2024-05-08 — — EP disclosed
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
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 2814/4885CYP1A2 2161/4885KMT2A 1556/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885CYP1A2 2161/4885KMT2A 1556/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885CYP1A2 2161/4885KMT2A 1556/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MEN1 463/4885CYP1A2 2655/4885KMT2A 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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