SCHEMBL21112713

SCHEMBL21112713

CC(C)(C)C[C@](NC(=O)OCc1ccccc1)(C(=O)O)c1ccc2c(ccc3ncnn32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PLAU P00749 1/20 0.34
▸ CTSS P25774 3/20 0.33
▸ CTSL P07711 2/20 0.33
▸ CTSB P07858 2/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ AAK1 Q2M2I8 2/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ CXCR2 P25025 1/20 0.32
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TNK2 Q07912 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL21112715 1.00 MEN1 (0.36) MEN1KMT2APLAUCTSSCTSL
SCHEMBL29640198 0.90 AAK1 (0.34) MEN1KMT2APLAUCTSSCTSL
SCHEMBL21112618 0.82 CTSS (0.37) MEN1KMT2ACTSSCTSLCTSB
SCHEMBL21112622 0.82 CTSS (0.37) MEN1KMT2ACTSSCTSLCTSB
SCHEMBL21112302 0.81 MEN1 (0.39) MEN1KMT2APLAUCTSSCTSL
SCHEMBL21112298 0.81 MEN1 (0.39) MEN1KMT2APLAUCTSSCTSL
SCHEMBL21112607 0.77 HDAC1 (0.45) MEN1KMT2ACTSSCTSLCTSB
SCHEMBL21112129 0.77 MEN1 (0.40) MEN1KMT2APLAUCTSSCTSL
SCHEMBL21112612 0.77 HDAC1 (0.45) MEN1KMT2ACTSSCTSLCTSB
SCHEMBL21112128 0.77 MEN1 (0.40) MEN1KMT2APLAUCTSSCTSL

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 1556/4885PLAU 566/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885PLAU 566/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885PLAU 566/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MEN1 463/4885KMT2A 1129/4885PLAU 401/4885

“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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