SCHEMBL6345756

SCHEMBL6345756

C=CC(C)(C)C(NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CTSK P43235 9/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
CTSS P25774 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL30170032 1.00 CA12 (0.40) CA12CA14CA1CA2CA7
SCHEMBL6345758 1.00 CA12 (0.40) CA12CA14CA1CA2CA7
SCHEMBL12493568 0.86 SMN1; SMN2 (0.49) CA1CA2CA7CTSKSMN1; SMN2
SCHEMBL16096409 0.85 CA1 (0.40) CA1CA2CA7CTSKSMN1; SMN2
SCHEMBL5568030 0.85 CA1 (0.40) CA1CA2CA7CTSKSMN1; SMN2
SCHEMBL6242134 0.85 CA1 (0.40) CA1CA2CA7CTSKSMN1; SMN2
SCHEMBL17735712 0.85 CA1 (0.40) CA1CA2CA7CTSKSMN1; SMN2
SCHEMBL17734154 0.81 CTSK (0.41) CTSKSMN1; SMN2CTSSTSHR
SCHEMBL17586869 0.80 CA1 (0.49) CA12CA14CA1CA2CA7
SCHEMBL7818885 0.80 CA1 (0.49) CA12CA14CA1CA2CA7

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 8 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
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 CA12 296/4885CA14 328/4885CA1 90/4885

“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.