SCHEMBL22045035

SCHEMBL22045035

CC(C)(C)OC(=O)NC[C@H](NC(=O)CCCN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.48
▸ ACE P12821 2/20 0.43
▸ CAPN1 P07384 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTGS1 P23219 4/20 0.37
▸ PTGS2 P35354 4/20 0.37
▸ SYK P43405 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ SDCBP O00560 1/20 0.35
▸ SDC2 P34741 1/20 0.35
▸ APP P05067 1/20 0.35
▸ PPARA Q07869 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ SERPINE1 P05121 1/20 0.34

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
SCHEMBL22044586 0.87 AKT1 (0.48) AKT1ACEMEN1GAAKMT2A
SCHEMBL22044572 0.84 PTGS1 (0.45) MEN1KMT2APTGS1PTGS2ITGB3
SCHEMBL31235812 0.83 AKT1 (0.42) AKT1ACEKMT2APTGS1PTGS2
SCHEMBL23113662 0.81 AKT1 (0.48) AKT1ACEIDO1MEN1GAA
SCHEMBL23736436 0.81 PTGS1 (0.44) PTGS1PTGS2HDAC3HDAC1HDAC8
SCHEMBL25130460 0.78 PTGS1 (0.46) PTGS1PTGS2NPSR1
SCHEMBL29333170 0.78 AKT1 (0.55) AKT1ACEIDO1PTGS1PTGS2
SCHEMBL24589079 0.78 PTGS1 (0.43) AKT1PTGS1PTGS2ITGB3ITGA2B
SCHEMBL22684548 0.77 NOD1 (0.55) ACECAPN1MEN1GAAKMT2A
SCHEMBL31721990 0.77 AKT1 (0.51) AKT1ACECAPN1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2024-01-16 — — US disclosed
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-09-03 — — US disclosed
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-06-04 — — 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 (3 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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 AKT1 2227/4885ACE 4729/4885CAPN1 2392/4885
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 AKT1 2227/4885ACE 4729/4885CAPN1 2392/4885
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS TEKT1, TEK, BTN3A1 AKT1 4614/4885ACE 1698/4885CAPN1 4569/4885

“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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