SCHEMBL10167463

SCHEMBL10167463

CCCCN(CC)C(=O)c1cc(C(=O)N[C@H]2CCc3c2ccc(C(=O)O)c3C)n2nccc2n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.56
MMP3 P08254 2/20 0.56
MMP13 P45452 2/20 0.56
MMP8 P22894 1/20 0.56
MMP12 P39900 1/20 0.56
KLKB1 P03952 5/20 0.32
NPC1 O15118 2/20 0.32
TNF P01375 2/20 0.32
NOD1 Q9Y239 2/20 0.32
RAB9A P51151 1/20 0.32
JAK2 O60674 1/20 0.32
PDE10A Q9Y233 1/20 0.31
NR2F2 P24468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
OPRK1 P41145 1/20 0.30
ACHE P22303 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL10167465 0.92 ADAMTS4 (0.59) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167470 0.89 ADAMTS4 (0.58) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167446 0.88 ADAMTS4 (0.53) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167412 0.87 ADAMTS4 (0.61) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167392 0.85 ADAMTS4 (0.57) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167564 0.83 ADAMTS4 (0.63) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167436 0.83 ADAMTS4 (0.64) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167458 0.83 ADAMTS4 (0.59) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167425 0.82 ADAMTS4 (0.64) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167770 0.82 ADAMTS4 (0.62) ADAMTS4MMP3MMP13MMP8MMP12

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 38/4885MMP3 3/4885MMP13 1/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP13 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.