SCHEMBL6346374

SCHEMBL6346374

O=C1C[C@H](C(=O)O)NCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.47
GRIA2 P42262 1/20 0.42
CYP2D6 P10635 3/20 0.37
ALOX15 P16050 3/20 0.37
CYP1A2 P05177 3/20 0.37
LMNA P02545 2/20 0.37
BLM P54132 2/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
CAD P27708 2/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGB2 P05107 1/20 0.33

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
SCHEMBL8543714 1.00 EGLN1 (0.47) EGLN1GRIA2CYP2D6ALOX15CYP1A2
SCHEMBL1300246 0.74
SCHEMBL690090 0.74
SCHEMBL690089 0.74
SCHEMBL4453517 0.72 CAD (0.42) EGLN1GRIA2CYP2D6ALOX15CYP1A2
SCHEMBL6950284 0.72
SCHEMBL16467758 0.72 CAD (0.48) EGLN1GRIA2CYP2D6ALOX15CYP1A2
SCHEMBL190463 0.68
SCHEMBL635259 0.68
SCHEMBL7422071 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849732-B2 Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation AGOURON PHARMACEUTICALS, INC. (US) 2005-02-01 US disclosed
EP-1095936-B1 Intermediates useful for the preparation of metallproteinase inhibitors AGOURON PHARMA (US) 2004-11-24 EP disclosed
US-20030130506-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation AGOURON PHARMACEUTICALS, INC. (US) 2003-07-10 US disclosed
US-6500948-B1 SUCH AS N-HYDROXY-4-(4-((PYRID-4-YL)OXY)BENZENESULFONYL)-2,2-DIMETHYL-TETRAHYDRO-2H -1,4-THIAZINE-3-CARBOXYLIC ACID AGOURON PHARMACEUTICALS, INC. 2002-12-31 US disclosed
EP-1095936-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation AGOURON PHARMACEUTICALS, INC. (US) 2001-05-02 EP disclosed
US-6153757-A A PRODRUG, SALT OR SOLVATE AS ANTITUMOR AGENT AND ENZYME INHIBITOR FOR INHIBITING METALLOPROTEINASES, TUMOR NECROSIS FACTOR AGOURON PHARMACEUTICALS, INC. (US) 2000-11-28 US disclosed
EP-0874830-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1998-11-04 EP disclosed
US-5753653-A Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses AGOURON PHARMACEUTICALS, INC. (US) 1998-05-19 US disclosed
WO-1997020824-A1 METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1997-06-12 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-20030130506-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation MMP9, MMP3, MMP2 EGLN1 505/4885GRIA2 4333/4885CYP2D6 86/4885

“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.