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SCHEMBL21112819

SCHEMBL21112819

C#Cc1ccc(C(N)(CC(C)(C)C)C(=O)O)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 2/20 0.35
▸ MAP2K2 P36507 1/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ TSPO P30536 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ FFAR1 O14842 4/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.32
▸ CTSD P07339 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ KCNN4 O15554 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ TMPRSS15 P98073 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL21112818 1.00 MAP2K1 (0.35) MAP2K1MAP2K2PTGS1PTGS2ADRA2A
SCHEMBL30557240 1.00 MAP2K1 (0.35) MAP2K1MAP2K2PTGS1PTGS2ADRA2A
SCHEMBL20907832 0.83 MAP2K1 (0.32) MAP2K1MAP2K2
SCHEMBL28407437 0.83 MAP2K1 (0.32) MAP2K1MAP2K2
SCHEMBL21112405 0.81 DGAT1 (0.41) SLC22A12
SCHEMBL30557344 0.81 DGAT1 (0.41) SLC22A12
SCHEMBL21112403 0.81 DGAT1 (0.41) SLC22A12
SCHEMBL20899803 0.79 CYP1A2 (0.44) CYP1A2CYP2C19MEN1KMT2A
SCHEMBL20899804 0.79 CYP1A2 (0.44) CYP1A2CYP2C19MEN1KMT2A
SCHEMBL21112678 0.78 KIF11 (0.46) —

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 MAP2K1 1727/4885MAP2K2 1958/4885PTGS1 729/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MAP2K1 1727/4885MAP2K2 1958/4885PTGS1 729/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MAP2K1 1727/4885MAP2K2 1958/4885PTGS1 729/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MAP2K1 1588/4885MAP2K2 1711/4885PTGS1 871/4885

“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.