SCHEMBL21112599

SCHEMBL21112599

CC(C)(C)C[C@](NC(=O)OCc1ccccc1)(C(=O)O)c1ccc2nc(C=O)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CTSS P25774 3/20 0.35
▸ CTSL P07711 2/20 0.35
▸ CTSB P07858 2/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ AAK1 Q2M2I8 4/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TACR3 P29371 1/20 0.33

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
SCHEMBL21112602 1.00 MEN1 (0.39) MEN1KMT2ACTSSCTSLCTSB
SCHEMBL20899712 0.92 MEN1 (0.38) MEN1KMT2ACTSSCTSLCTSB
SCHEMBL20899711 0.92 MEN1 (0.38) MEN1KMT2ACTSSCTSLCTSB
SCHEMBL29640325 0.90 MEN1 (0.36) MEN1KMT2ACTSSCTSLCTSB
SCHEMBL28405383 0.90 MEN1 (0.36) MEN1KMT2ACTSSCTSLCTSB
SCHEMBL20907699 0.90 MEN1 (0.36) MEN1KMT2ACTSSCTSLCTSB
SCHEMBL21112129 0.88 MEN1 (0.40) MEN1KMT2ACTSSCTSLCTSB
SCHEMBL21112128 0.88 MEN1 (0.40) MEN1KMT2ACTSSCTSLCTSB
SCHEMBL21112560 0.87 PLAU (0.41) MEN1KMT2ACTSSCTSLCTSB
SCHEMBL21112557 0.87 PLAU (0.41) MEN1KMT2ACTSSCTSLCTSB

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 2814/4885KMT2A 1556/4885CTSS 27/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885CTSS 27/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885CTSS 27/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MEN1 463/4885KMT2A 1129/4885CTSS 31/4885

“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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