SCHEMBL10164993

SCHEMBL10164993

CC(C)[C@H](NS(=O)(=O)c1ccccc1C#N)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.50
LMNA P02545 1/20 0.47
MMP13 P45452 3/20 0.44
ADAMTS4 O75173 1/20 0.44
TRPA1 O75762 1/20 0.42
POLB P06746 1/20 0.41
KAT6A Q92794 1/20 0.41
NR1H2 P55055 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39
MMP7 P09237 2/20 0.39
MMP9 P14780 2/20 0.39
ABCB1 P08183 3/20 0.39
SLC22A12 Q96S37 2/20 0.38

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
SCHEMBL10164984 1.00 ADAM17 (0.50) ADAM17LMNAMMP13ADAMTS4TRPA1
SCHEMBL15917536 0.81 POLB (0.51) MMP13ADAMTS4POLBMMP1MMP2
SCHEMBL14419201 0.79 MMP9 (0.56) MMP13ADAMTS4MMP1MMP2MMP3
SCHEMBL10211049 0.79 MMP13 (0.64) MMP13ADAMTS4MMP1MMP2MMP3
SCHEMBL10208391 0.79 MMP13 (0.64) MMP13ADAMTS4MMP1MMP2MMP3
SCHEMBL10165268 0.78 ALOX5AP (0.39) MMP13ADAMTS4MMP1MMP2MMP3
SCHEMBL10165269 0.78 ALOX5AP (0.39) MMP13ADAMTS4MMP1MMP2MMP3
SCHEMBL10164975 0.78 ADAMTS4 (0.55) MMP13ADAMTS4KAT6ANR1H2MMP1
SCHEMBL10164970 0.78 ADAMTS4 (0.55) MMP13ADAMTS4KAT6ANR1H2MMP1
SCHEMBL1771358 0.76 SLC1A3 (0.54) ADAM17MMP13ADAMTS4KAT6AMMP1

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 ADAM17 19/4885LMNA 2387/4885MMP13 1/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ADAM17 19/4885LMNA 2387/4885MMP13 1/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ADAM17 19/4885LMNA 2387/4885MMP13 1/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ADAM17 19/4885LMNA 2387/4885MMP13 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.