SCHEMBL3071908

SCHEMBL3071908

CC(C)N(Cc1cccc(-c2ccc(S(=O)(=O)NC(C)(C)c3cnn[nH]3)cc2)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 4/20 0.43
PTGES O14684 1/20 0.39
NMT1 P30419 6/20 0.39
MMP1 P03956 4/20 0.37
MMP2 P08253 4/20 0.37
MMP3 P08254 4/20 0.37
MMP7 P09237 4/20 0.37
MMP9 P14780 4/20 0.37
MMP13 P45452 3/20 0.37
MMP10 P09238 2/20 0.37
MMP8 P22894 2/20 0.37
MMP12 P39900 2/20 0.37
MMP14 P50281 2/20 0.37
NTRK1 P04629 1/20 0.37
ROCK2 O75116 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 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
SCHEMBL3077608 0.89 PTGES (0.42) ADAMTS4PTGESNMT1MMP1MMP2
SCHEMBL3097439 0.89 ADAMTS4 (0.40) ADAMTS4PTGESNMT1MMP1MMP2
SCHEMBL3087168 0.88 ADAMTS4 (0.39) ADAMTS4PTGESNMT1ROCK2HSD17B1
SCHEMBL3084477 0.84 MMP1 (0.39) ADAMTS4PTGESNMT1MMP1MMP2
SCHEMBL3086081 0.84 ROCK2 (0.40) ADAMTS4PTGESNMT1MMP1MMP2
SCHEMBL4793214 0.84 NAMPT (0.41) ADAMTS4NMT1MMP1MMP2MMP3
SCHEMBL4795906 0.82 NMT1 (0.48) ADAMTS4NMT1
SCHEMBL8777638 0.82 MMP2 (0.40) ADAMTS4NMT1MMP1MMP2MMP3
SCHEMBL3082269 0.82 NMT1 (0.46) ADAMTS4NMT1MMP1MMP2MMP3
Hydrochloric Acid SCHEMBL3097044 0.81 NMT1 (0.48) ADAMTS4NMT1

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 2 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
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 ADAMTS4 31/4885PTGES 702/4885NMT1 2646/4885

“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.