SCHEMBL23114825

SCHEMBL23114825

COc1ccc2cc([C@@](CC(C)(C)C)(NC(=O)OCc3ccccc3)C(=O)OC(C)C)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CTSS P25774 2/20 0.36
▸ AAK1 Q2M2I8 5/20 0.35
▸ ATM Q13315 2/20 0.34
▸ TACR3 P29371 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 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
SCHEMBL28407708 0.90 MEN1 (0.37) MEN1KMT2ACTSSAAK1ATM
SCHEMBL29640241 0.90 MEN1 (0.37) MEN1KMT2ACTSSAAK1ATM
SCHEMBL20907560 0.90 MEN1 (0.37) MEN1KMT2ACTSSAAK1ATM
SCHEMBL20907561 0.90 PLAU (0.39) MEN1KMT2ACTSSAAK1ATM
SCHEMBL28402028 0.90 PLAU (0.39) MEN1KMT2ACTSSAAK1ATM
SCHEMBL29640237 0.90 MEN1 (0.36) MEN1KMT2ACTSSAAK1ATM
SCHEMBL20907699 0.89 MEN1 (0.36) MEN1KMT2ACTSSAAK1ATM
SCHEMBL29640325 0.89 MEN1 (0.36) MEN1KMT2ACTSSAAK1ATM
SCHEMBL28405383 0.89 MEN1 (0.36) MEN1KMT2ACTSSAAK1ATM
SCHEMBL20907698 0.88 MEN1 (0.37) MEN1KMT2ACTSSAAK1ATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885CTSS 27/4885

“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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