SCHEMBL5603250

SCHEMBL5603250

CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)On1nnc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.42
▸ HDAC4 P56524 3/20 0.42
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC7 Q8WUI4 3/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ HDAC10 Q969S8 3/20 0.42
▸ HDAC11 Q96DB2 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ HDAC9 Q9UKV0 3/20 0.42
▸ HDAC5 Q9UQL6 3/20 0.42
▸ CACNA1B Q00975 3/20 0.41
▸ SIRT2 Q8IXJ6 3/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8959196 0.85 HDAC4 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1609729 0.82 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10625651 0.81 SYK (0.43) NPC1RAB9ASMN1; SMN2PPARGPPARA
SCHEMBL29044862 0.79 PPARG (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27349791 0.76 POLB (0.50) NPC1RAB9ASMN1; SMN2KLK5KDM4E
SCHEMBL10626852 0.75 SYK (0.44) NPC1RAB9ASMN1; SMN2CTSSCTSL
SCHEMBL12604847 0.75 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27349789 0.75 APAF1 (0.57) RAB9ASMN1; SMN2ALDH1A1PPARGPPARA
SCHEMBL1609731 0.75 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13855987 0.75 BRD4 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-1311281-B1 ANTIMICROBIAL SULFONAMIDE DERIVATIVES OF LIPOPEPTIDE ANTIBIOTICS MIGENIX INC (CA) 2007-10-24 — — EP disclosed
US-6750199-B2 SULFONYLATION CORE ANTIBIOTIC MICROLOGIX BIOTECH INC. (CA) 2004-06-15 — — US disclosed
US-20020028771-A1 Antimicrobial sulfonamide derivatives of lipopeptide antibiotics BIOSOURCE PHARM, INC. 2002-03-07 — — 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-20020028771-A1 Antimicrobial sulfonamide derivatives of lipopeptide antibiotics STS, CUTA, LSS HDAC3 3490/4885HDAC4 2625/4885HDAC1 2634/4885

“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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