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SCHEMBL21112142

SCHEMBL21112142

N[C@@](C(=O)O)(c1cc(F)cc(F)c1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ DPP4 P27487 2/20 0.36
▸ DPP7 Q9UHL4 2/20 0.36
▸ EPHX1 P07099 1/20 0.34
▸ KCNN4 O15554 2/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ GRM3 Q14832 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ CHRM3 P20309 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL21112143 1.00 MEN1 (0.51) MEN1CYP1A2CYP2C19KMT2ADPP4
SCHEMBL21149928 0.77 EPHX1 (0.35) MEN1CYP1A2CYP2C19KMT2ADPP4
SCHEMBL29640229 0.77 EPHX1 (0.35) MEN1CYP1A2CYP2C19KMT2ADPP4
SCHEMBL29640228 0.77 EPHX1 (0.35) MEN1CYP1A2CYP2C19KMT2ADPP4
SCHEMBL7348679 0.71 MEN1 (0.64) MEN1CYP1A2CYP2C19KMT2AEPHX1
SCHEMBL7534534 0.70 MEN1 (0.50) MEN1CYP1A2CYP2C19KMT2AKEAP1
SCHEMBL1411424 0.69 KEAP1 (0.61) MEN1CYP1A2CYP2C19KMT2AKCNN4
SCHEMBL1410564 0.69 KEAP1 (0.61) MEN1CYP1A2CYP2C19KMT2AKCNN4
SCHEMBL2451043 0.69 CYP1A2 (0.57) MEN1CYP1A2CYP2C19KMT2AKCNN4
SCHEMBL2451041 0.69 CYP1A2 (0.57) MEN1CYP1A2CYP2C19KMT2AKCNN4

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 5 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
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 2161/4885CYP2C19 890/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885CYP1A2 2161/4885CYP2C19 890/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885CYP1A2 2161/4885CYP2C19 890/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MEN1 463/4885CYP1A2 2655/4885CYP2C19 870/4885

“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.