SCHEMBL3079730

SCHEMBL3079730

CC(C)(NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1[nH]nnc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
KIF11 P52732 4/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM1A O60341 2/20 0.40
KIT P10721 2/20 0.38
HSD11B1 P28845 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
JAK2 O60674 2/20 0.37
JAK3 P52333 1/20 0.37
PFKFB3 Q16875 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
ACLY P53396 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36

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
SCHEMBL3090512 0.77 MMP1 (0.42) MMP1MMP2MMP3MMP7MMP9
Hydrochloric Acid SCHEMBL3079496 0.76 MMP1 (0.41) MMP1MMP2MMP3MMP7MMP9
SCHEMBL3071850 0.70 KIF11 (0.50) MMP1MMP2MMP3MMP7MMP9
SCHEMBL15946356 0.70 ALDH1A1 (0.56) MMP1MMP2MMP3MMP7MMP9
SCHEMBL3097360 0.68 KIF11 (0.41) MMP1MMP2MMP3MMP7MMP9
SCHEMBL12054697 0.66 CA1 (0.53) MMP1MMP2MMP3MMP7MMP9
SCHEMBL13485833 0.65 KIF11 (0.59) MMP1MMP2MMP3MMP7MMP9
SCHEMBL3079705 0.64 CYP19A1 (0.51) MMP1MMP2MMP3MMP7MMP9
SCHEMBL14675663 0.64 MMP1 (0.51) MMP1MMP2MMP3MMP7MMP9
SCHEMBL7506839 0.63 PTGS2 (0.72) KIF11

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 6 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
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
WO-2008024784-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2008-02-28 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 (1 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 MMP1 15/4885MMP2 14/4885MMP3 1/4885

“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.