SCHEMBL7080779

SCHEMBL7080779

O=C(O)[C@H](CNOCc1ccccc1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CPA1 P15085 6/20 0.53
CPA3 P15088 3/20 0.53
FOLH1 Q04609 3/20 0.53
CPB1 P15086 1/20 0.53
CPB2 Q96IY4 1/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49

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
SCHEMBL7080776 1.00 CYP1A2 (0.59) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7080774 1.00 CYP1A2 (0.59) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL29811096 0.93 PPARG (0.52) CYP1A2CPA1CPA3FOLH1NAALAD2
SCHEMBL29506214 0.91 CYP1A2 (0.49) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL16898375 0.84 NPC1 (0.44) CYP1A2FOLH1SLC1A3SLC1A1
SCHEMBL16898377 0.84 NPC1 (0.44) CYP1A2FOLH1SLC1A3SLC1A1
SCHEMBL7277804 0.83 ACE2 (0.46) FOLH1SLC1A1
SCHEMBL3319286 0.81 PTGES (0.48) FOLH1
SCHEMBL4955699 0.81 PTGES (0.48) FOLH1
SCHEMBL134381 0.80 CTRC (0.48) FOLH1

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 CYP1A2 3623/4885CPA1 429/4885CPA3 232/4885

“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.