SCHEMBL5020142

SCHEMBL5020142

CC(C)(NS(=O)(=O)c1ccc(-c2cccc(CNC(=O)OCc3ccccc3)c2)cc1)c1cnn[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.43
MMP9 P14780 7/20 0.43
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 2/20 0.40
MMP3 P08254 5/20 0.40
MMP14 P50281 4/20 0.40
MMP1 P03956 4/20 0.40
MMP7 P09237 4/20 0.40
MMP13 P45452 2/20 0.40
NAMPT P43490 1/20 0.39
MMP10 P09238 2/20 0.39
MMP8 P22894 2/20 0.39
MMP12 P39900 2/20 0.39
MGLL Q99685 3/20 0.39
TNKS O95271 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
PADI3 Q9ULW8 1/20 0.39
PADI4 Q9UM07 1/20 0.39
HDAC3 O15379 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL8777128 0.92 GAA (0.45) MMP2MMP9HDAC1MMP3MMP14
SCHEMBL4906501 0.89 PADI3 (0.38) MMP2MMP9HDAC1MMP3MMP14
SCHEMBL8777624 0.89 BRD4 (0.41) MMP2MMP9HDAC1MMP3MMP14
SCHEMBL4793214 0.89 NAMPT (0.41) MMP2MMP9MMP3MMP14MMP1
SCHEMBL8777638 0.88 MMP2 (0.40) MMP2MMP9MMP3MMP14MMP1
SCHEMBL3095123 0.87 ADAMTS4 (0.44) MMP2MMP9MMP3MMP14MMP1
SCHEMBL3082269 0.85 NMT1 (0.46) MMP2MMP9MMP3MMP14MMP1
SCHEMBL5020145 0.85 NMT1 (0.37) MMP2MMP9MMP3MMP14MMP1
SCHEMBL3091364 0.83 AAK1 (0.43)
SCHEMBL3091047 0.83 KMT2A (0.44) MMP2MMP9MMP3MMP14MMP1

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
EP-3483147-A1 METALLOENZYME INHIBITOR COMPOUNDS Innocrin Pharmaceuticals, Inc. (US) 2019-05-15 EP disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
WO-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-09-16 US disclosed
US-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-09-16 US 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 (6 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-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS MMP3, MMP11, MMP13 MMP2 14/4885MMP9 4/4885HDAC1 55/4885
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MMP2 178/4885MMP9 102/4885HDAC1 782/4885
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MMP2 178/4885MMP9 102/4885HDAC1 782/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MMP2 178/4885MMP9 102/4885HDAC1 782/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MMP2 178/4885MMP9 102/4885HDAC1 782/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MMP2 178/4885MMP9 102/4885HDAC1 782/4885

“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.