SCHEMBL7084380

SCHEMBL7084380

CC(C)CC(C(=O)O)C(C)N(C=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.40
ACE P12821 5/20 0.39
CTSK P43235 2/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 1/20 0.36

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
SCHEMBL24252141 0.88 SLC1A3 (0.44) CTSBACESLC1A3SLC1A2SLC1A1
SCHEMBL27530431 0.84 CTSB (0.44) CTSBCTSKSLC1A3SLC1A2SLC1A1
SCHEMBL14282188 0.84 CTSK (0.42) CTSBCTSKMEN1CYP1A2CYP2C9
SCHEMBL24252159 0.84 SMN1; SMN2 (0.39) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL27389520 0.78 SLC1A3 (0.41) CTSBSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL10873777 0.77 SLC1A1 (0.45) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7084082 0.76 PPARA (0.39) CTSBCTSK
SCHEMBL5268183 0.76 ALDH1A1 (0.40) CTSBSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL27744904 0.76 ALDH1A1 (0.40) CTSBSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL16166282 0.75 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140058-B1 N-FORMYL HYDROXYLAMINE DERIVATIVES AS ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARM (GB) 2003-11-05 EP disclosed
US-20030149084-A1 Cytostatic agents AYSCOUGH ANDREW PAUL (GB) 2003-08-07 US disclosed
US-6495597-B1 N-FORMYL HYDROXYLAMINE DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-12-17 US disclosed
US-6476067-B1 N-formyl hydroxylamine derivatives as antibacterial agents BRITISH BIOTECH (GB) 2002-11-05 US disclosed
EP-1146868-A1 ANTI-INFLAMMATORY AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-10-24 EP disclosed
EP-1140058-A1 N-FORMYL HYDROXYLAMINE DERIVATIVES AS ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-10-10 EP disclosed
EP-1054861-A1 CYTOSTATIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-11-29 EP disclosed
WO-2000043001-A1 ANTI-INFLAMMATORY AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-07-27 WO disclosed
WO-2000035440-A1 N-FORMYL HYDROXYLAMINE DERIVATIVES AS ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-06-22 WO disclosed
WO-1999041232-A1 CYTOSTATIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-19 WO 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-20030149084-A1 Cytostatic agents MCTS1, NNMT, MMP12 CTSB 659/4885ACE 2167/4885CTSK 1006/4885

“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.