SCHEMBL10164975

SCHEMBL10164975

CC(C)[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 0.55
MMP13 P45452 6/20 0.50
MMP1 P03956 4/20 0.47
MMP2 P08253 4/20 0.47
MMP3 P08254 4/20 0.47
MMP7 P09237 4/20 0.47
MMP9 P14780 4/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ABCB1 P08183 2/20 0.46
NR3C1 P04150 1/20 0.44
NR1H2 P55055 1/20 0.43
KAT6A Q92794 1/20 0.42
S1PR1 P21453 1/20 0.42
ITGAV P06756 1/20 0.42
PGR P06401 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ACLY P53396 1/20 0.40

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
SCHEMBL10164970 1.00 ADAMTS4 (0.55) ADAMTS4MMP13MMP1MMP2MMP3
SCHEMBL10211049 0.86 MMP13 (0.64) ADAMTS4MMP13MMP1MMP2MMP3
SCHEMBL10208391 0.86 MMP13 (0.64) ADAMTS4MMP13MMP1MMP2MMP3
SCHEMBL14419201 0.81 MMP9 (0.56) ADAMTS4MMP13MMP1MMP2MMP3
SCHEMBL3077650 0.80 MMP12 (0.53) MMP13MMP2MMP3MMP9
SCHEMBL3077646 0.80 MMP12 (0.53) MMP13MMP2MMP3MMP9
SCHEMBL10165265 0.80 ADAMTS4 (0.55) ADAMTS4MMP13NPSR1HDAC8HDAC6
SCHEMBL10165266 0.80 ADAMTS4 (0.55) ADAMTS4MMP13NPSR1HDAC8HDAC6
SCHEMBL1771358 0.78 SLC1A3 (0.54) ADAMTS4MMP13MMP1MMP2MMP3
SCHEMBL10164993 0.78 ADAM17 (0.50) ADAMTS4MMP13MMP1MMP2MMP3

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
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP13 1/4885MMP1 21/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP13 1/4885MMP1 21/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP13 1/4885MMP1 21/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP13 1/4885MMP1 21/4885

“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.