SCHEMBL3087406

SCHEMBL3087406

CC(C)(NS(=O)(=O)c1ccc(-c2cccc(CNC(=O)c3ccc(Cl)cc3)c2)cc1)c1cnn[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.45
CXCR3 P49682 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGDS O60760 1/20 0.42
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39

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
SCHEMBL3095123 0.92 ADAMTS4 (0.44) MAPTHPGDSCA1CA2MMP1
SCHEMBL3091566 0.91 ROCK2 (0.46) HPGDSMMP13ROCK2ROCK1
SCHEMBL18886779 0.90 HPGDS (0.44) CHRM3MEN1KMT2AMAPTHTT
SCHEMBL3090286 0.88 NPC1 (0.46) MAPTHTTHPGDSCA2MMP13
SCHEMBL4793214 0.87 NAMPT (0.41) HPGDSMMP1MMP2MMP3MMP7
SCHEMBL3091047 0.86 KMT2A (0.44) KMT2AHTTHPGDSMMP1MMP2
SCHEMBL8777624 0.84 BRD4 (0.41) HPGDSCA1MMP1MMP2MMP3
SCHEMBL3091364 0.83 AAK1 (0.43) MEN1KMT2AHTTTP53
SCHEMBL8777128 0.83 GAA (0.45) HPGDSCYP1A2CYP2C19MMP1MMP2
SCHEMBL8777638 0.83 MMP2 (0.40) HPGDSMMP1MMP2MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-09-16 US claimed
WO-2008024784-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2008-02-28 WO claimed
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
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 CHRM3 3433/4885CXCR3 898/4885MEN1 2931/4885
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CHRM3 2955/4885CXCR3 3528/4885MEN1 511/4885
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CHRM3 2955/4885CXCR3 3528/4885MEN1 511/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CHRM3 2955/4885CXCR3 3528/4885MEN1 511/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CHRM3 2955/4885CXCR3 3528/4885MEN1 511/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CHRM3 2955/4885CXCR3 3528/4885MEN1 511/4885

“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.