SCHEMBL21112711

SCHEMBL21112711

C#Cc1ccc([C@](N)(CC(C)(C)C)C(=O)O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ APP P05067 1/20 0.34
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 2/20 0.33
▸ KCNN4 O15554 1/20 0.31
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ POLB P06746 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
SCHEMBL20899783 1.00 CYP1A2 (0.35) CYP1A2MEN1KMT2AAPPAKR1C3
SCHEMBL30557356 1.00 CYP1A2 (0.35) CYP1A2MEN1KMT2AAPPAKR1C3
SCHEMBL21148947 0.83 MEN1 (0.33) MEN1KMT2A
SCHEMBL29640222 0.83 MEN1 (0.33) MEN1KMT2A
SCHEMBL20908244 0.83 MEN1 (0.33) MEN1KMT2A
SCHEMBL21112962 0.83 CYP1A2 (0.33) CYP1A2MEN1KMT2AAPPAKR1C3
SCHEMBL21112963 0.83 CYP1A2 (0.33) CYP1A2MEN1KMT2AAPPAKR1C3
SCHEMBL20899732 0.80 CYP1A2 (0.38) CYP1A2MEN1KMT2AAPPAKR1C3
SCHEMBL21112213 0.80 CYP1A2 (0.38) CYP1A2MEN1KMT2AAPPAKR1C3
SCHEMBL20899803 0.77 CYP1A2 (0.44) CYP1A2MEN1KMT2ACYP2D6CYP2C19

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
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
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 CYP1A2 2161/4885MEN1 2814/4885KMT2A 1556/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CYP1A2 2161/4885MEN1 2814/4885KMT2A 1556/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CYP1A2 2161/4885MEN1 2814/4885KMT2A 1556/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN CYP1A2 2655/4885MEN1 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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