SCHEMBL21112403

SCHEMBL21112403

CC(C)(C)C[C@](N)(C(=O)O)c1ccc(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.37
SLC22A12 Q96S37 1/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARA Q07869 2/20 0.33
AAK1 Q2M2I8 2/20 0.33
FPR2 P25090 1/20 0.33
MYC P01106 1/20 0.33
NR4A1 P22736 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDPK1 O15530 1/20 0.33
PTGFR P43088 5/20 0.32

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
SCHEMBL21112405 1.00 DGAT1 (0.41) DGAT1PTGDR2SLC22A12NPC1ALDH1A1
SCHEMBL30557344 1.00 DGAT1 (0.41) DGAT1PTGDR2SLC22A12NPC1ALDH1A1
SCHEMBL20908009 0.82 AAK1 (0.36) DGAT1PTGDR2NPC1ALDH1A1LMNA
SCHEMBL28401181 0.82 AAK1 (0.36) DGAT1PTGDR2NPC1ALDH1A1LMNA
SCHEMBL21112818 0.81 MAP2K1 (0.35) SLC22A12
SCHEMBL21112678 0.81 KIF11 (0.46)
SCHEMBL30557240 0.81 MAP2K1 (0.35) SLC22A12
SCHEMBL21112819 0.81 MAP2K1 (0.35) SLC22A12
SCHEMBL21112677 0.81 KIF11 (0.46)
Hydrochloric Acid SCHEMBL21112188 0.80 KIF11 (0.46) ALDH1A1SMN1; SMN2

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 DGAT1 3349/4885PTGDR2 4646/4885SLC22A12 2027/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN DGAT1 3349/4885PTGDR2 4646/4885SLC22A12 2027/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN DGAT1 3349/4885PTGDR2 4646/4885SLC22A12 2027/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN DGAT1 3882/4885PTGDR2 4771/4885SLC22A12 2154/4885

“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.