SCHEMBL8777638

SCHEMBL8777638

CC(C)OC(=O)NCc1cccc(-c2ccc(S(=O)(=O)NC(C)(C)c3cnn[nH]3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.40
MMP10 P09238 3/20 0.40
MMP8 P22894 3/20 0.40
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.40
MMP7 P09237 2/20 0.40
MMP9 P14780 2/20 0.40
MMP12 P39900 2/20 0.40
MMP14 P50281 2/20 0.40
MMP13 P45452 2/20 0.40
ADAMTS4 O75173 3/20 0.39
NAMPT P43490 1/20 0.37
HPGDS O60760 1/20 0.36
TRPA1 O75762 1/20 0.36
NMT1 P30419 5/20 0.36
ALDH1A1 P00352 1/20 0.35

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 0.90 BRD4 (0.41) MMP2MMP10MMP8MMP1MMP3
SCHEMBL8777128 0.90 GAA (0.45) MMP2MMP10MMP8MMP1MMP3
SCHEMBL4793214 0.88 NAMPT (0.41) MMP2MMP10MMP8MMP1MMP3
SCHEMBL5020142 0.88 MMP2 (0.43) MMP2MMP10MMP8MMP1MMP3
SCHEMBL4906501 0.87 PADI3 (0.38) MMP2MMP10MMP8MMP1MMP3
SCHEMBL5020145 0.86 NMT1 (0.37) MMP2MMP10MMP8MMP1MMP3
SCHEMBL3095123 0.85 ADAMTS4 (0.44) MMP2MMP10MMP8MMP1MMP3
SCHEMBL3091364 0.84 AAK1 (0.43) ALDH1A1
SCHEMBL3091566 0.84 ROCK2 (0.46) MMP13HPGDSALDH1A1
SCHEMBL3087406 0.83 CHRM3 (0.45) MMP2MMP10MMP8MMP1MMP3

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 10 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
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 14/4885MMP10 5/4885MMP8 22/4885
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MMP2 178/4885MMP10 103/4885MMP8 149/4885
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MMP2 178/4885MMP10 103/4885MMP8 149/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MMP2 178/4885MMP10 103/4885MMP8 149/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MMP2 178/4885MMP10 103/4885MMP8 149/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MMP2 178/4885MMP10 103/4885MMP8 149/4885

“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.