SCHEMBL29640266

SCHEMBL29640266

C=Cc1ccc2cc([C@@](CC(C)(C)C)(NC(=O)OCc3ccccc3)C(=O)OC(C)C)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 6/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CTSS P25774 2/20 0.35
▸ ATM Q13315 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ MBOAT4 Q96T53 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ TACR1 P25103 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 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
SCHEMBL23114934 1.00 AAK1 (0.38) AAK1MEN1KMT2ACTSSATM
SCHEMBL20907700 1.00 AAK1 (0.38) AAK1MEN1KMT2ACTSSATM
SCHEMBL29640325 0.93 MEN1 (0.36) AAK1MEN1KMT2ACTSSATM
SCHEMBL20907699 0.93 MEN1 (0.36) AAK1MEN1KMT2ACTSSATM
SCHEMBL28405383 0.93 MEN1 (0.36) AAK1MEN1KMT2ACTSSATM
SCHEMBL20899712 0.90 MEN1 (0.38) AAK1MEN1KMT2ACTSSSYK
SCHEMBL20899711 0.90 MEN1 (0.38) AAK1MEN1KMT2ACTSSSYK
SCHEMBL20907560 0.88 MEN1 (0.37) AAK1MEN1KMT2ACTSSATM
SCHEMBL28407708 0.88 MEN1 (0.37) AAK1MEN1KMT2ACTSSATM
SCHEMBL29640241 0.88 MEN1 (0.37) AAK1MEN1KMT2ACTSSATM

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 1 patent. 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

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

For each of this compound's patents that has machine-readable text (1 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-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN AAK1 1993/4885MEN1 2814/4885KMT2A 1556/4885

“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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