SCHEMBL3087754

SCHEMBL3087754

COc1ccc(-c2ccc(S(=O)(=O)NC(c3cnn[nH]3)C(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.52
MMP9 P14780 11/20 0.52
MMP13 P45452 10/20 0.52
MMP8 P22894 7/20 0.52
MMP3 P08254 7/20 0.52
MMP1 P03956 6/20 0.52
MMP7 P09237 5/20 0.52
MMP14 P50281 2/20 0.51
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ADAMTS4 O75173 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL3083887 0.88 MMP2 (0.51) MMP2MMP9MMP13MMP8MMP3
SCHEMBL3087707 0.81 MMP2 (0.47) MMP2MMP9MMP13MMP8MMP3
SCHEMBL3090320 0.72 ALDH1A1 (0.51) LMNA
SCHEMBL5198657 0.69 LMNA (0.68) MMP2MMP9MMP13MMP8MMP3
SCHEMBL7761532 0.69 MMP2 (1.00) MMP2MMP9MMP13MMP8MMP3
SCHEMBL7761520 0.69 MMP2 (1.00) MMP2MMP9MMP13MMP8MMP3
SCHEMBL3090529 0.68 MMP2 (0.59) MMP2MMP9MMP13MMP8MMP3
SCHEMBL6735964 0.65 MMP2 (0.82) MMP2MMP9MMP13MMP8MMP3
SCHEMBL29259797 0.65 CA1 (0.68) MMP2MMP9MMP13MMP8MMP3
SCHEMBL3078516 0.65 MMP3 (0.45) MMP2MMP9MMP13MMP8MMP3

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 5 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

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 MMP2 14/4885MMP9 4/4885MMP13 3/4885

“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.