SCHEMBL6432107

SCHEMBL6432107

COC(=O)C1NCCSC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
ARG1 P05089 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL15046738 1.00 KMT2A (0.38) KMT2AARG1CHRNB2CHRNA4CHRNB4
SCHEMBL6432101 1.00 KMT2A (0.38) KMT2AARG1CHRNB2CHRNA4CHRNB4
SCHEMBL14570178 0.81 KMT2A (0.40) KMT2AARG1CHRNB2CHRNA4CHRNB4
SCHEMBL9036688 0.81 KMT2A (0.40) KMT2AARG1CHRNB2CHRNA4CHRNB4
SCHEMBL6108339 0.81 MAPK1 (0.33)
SCHEMBL6290400 0.79 ARG1 (0.38) KMT2AARG1
SCHEMBL1770440 0.79 ARG1 (0.38) KMT2AARG1
SCHEMBL1770442 0.79 ARG1 (0.38) KMT2AARG1
SCHEMBL7360404 0.78 OPRM1 (0.32)
SCHEMBL6431345 0.77 TSHR (0.33) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282496-B2 Allenic aryl sulfonamide hydroxamic acids as matrix metalloproteinase and TACE inhibitors WYETH HOLDINGS CORPORATION (US) 2007-10-16 US disclosed
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-20030130238-A1 Allenic aryl sulfonamide hydroxamic acids as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2003-07-10 US disclosed
EP-0874830-B1 A METALLOPROTEINASE INHIBITOR, A PHARMACEUTICAL COMPOSITION CONTAINING IT AND THE PHARMACEUTICAL USE AND METHOD USEFUL FOR THE PREPARATION THEREOF AGOURON PHARMA (US) 2003-03-12 EP 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 (2 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 KMT2A 2245/4885ARG1 1026/4885CHRNB2 3772/4885
US-20030130238-A1 Allenic aryl sulfonamide hydroxamic acids as matrix metalloproteinase and tace inhibitors MMP12, MMP1, SI KMT2A 3401/4885ARG1 312/4885CHRNB2 4743/4885

“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.