SCHEMBL10161999

SCHEMBL10161999

CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccnc(N3CCOCC3)c2)nc2c(F)cnn12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.64
MMP3 P08254 2/20 0.64
MMP13 P45452 2/20 0.64
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
KLKB1 P03952 3/20 0.37
KLK1 P06870 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
GPR52 Q9Y2T5 4/20 0.35
SLC8A1 P32418 1/20 0.35
NAPEPLD Q6IQ20 3/20 0.34
MAPK1 P28482 1/20 0.34
RPS6KA1 Q15418 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CA P42336 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL10167008 0.95 ADAMTS4 (0.71) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10166367 0.91 ADAMTS4 (0.58) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10162137 0.91 MMP13 (0.68) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10161945 0.89 MMP13 (0.71) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10161590 0.86 MMP13 (0.73) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10161904 0.86 MMP13 (0.77) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10161993 0.86 MMP13 (0.67) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10161931 0.86 MMP13 (0.74) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167011 0.85 ADAMTS4 (0.76) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10161951 0.85 MMP13 (0.71) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 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-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-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.