SCHEMBL5020145

SCHEMBL5020145

CC(C)(NS(=O)(=O)c1ccc(-c2cccc(CNC(=O)OC3CCCC3)c2)cc1)c1cnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.37
TRPA1 O75762 1/20 0.37
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
MMP10 P09238 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP12 P39900 2/20 0.36
MMP14 P50281 2/20 0.36
MMP13 P45452 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
AAK1 Q2M2I8 4/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
ADAMTS4 O75173 3/20 0.35
NAMPT P43490 1/20 0.34
GAK O14976 3/20 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
SCHEMBL8777624 0.87 BRD4 (0.41) MMP1MMP2MMP3MMP7MMP10
SCHEMBL8777128 0.86 GAA (0.45) NMT1MMP1MMP2MMP3MMP7
SCHEMBL8777638 0.86 MMP2 (0.40) NMT1TRPA1MMP1MMP2MMP3
SCHEMBL3091364 0.86 AAK1 (0.43) AAK1GAKSTK16BMP2KCDKL2
SCHEMBL4793214 0.85 NAMPT (0.41) NMT1MMP1MMP2MMP3MMP7
SCHEMBL5020142 0.85 MMP2 (0.43) MMP1MMP2MMP3MMP7MMP10
SCHEMBL4906501 0.84 PADI3 (0.38) NMT1MMP1MMP2MMP3MMP7
SCHEMBL3095123 0.82 ADAMTS4 (0.44) MMP1MMP2MMP3MMP7MMP10
SCHEMBL3084477 0.82 MMP1 (0.39) NMT1MMP1MMP2MMP3MMP7
SCHEMBL3091566 0.80 ROCK2 (0.46) MMP13HPGDS

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 NMT1 2646/4885TRPA1 4444/4885MMP1 15/4885
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NMT1 395/4885TRPA1 2307/4885MMP1 469/4885
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NMT1 395/4885TRPA1 2307/4885MMP1 469/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NMT1 395/4885TRPA1 2307/4885MMP1 469/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NMT1 395/4885TRPA1 2307/4885MMP1 469/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NMT1 395/4885TRPA1 2307/4885MMP1 469/4885

“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.