SCHEMBL10167698

SCHEMBL10167698

Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)nc2ccnn12

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.70
ADAMTS4 O75173 2/20 0.70
MMP3 P08254 2/20 0.70
MMP8 P22894 1/20 0.70
MMP12 P39900 1/20 0.70
SORT1 Q99523 2/20 0.40
KLKB1 P03952 2/20 0.37
PDE2A O00408 3/20 0.37
P2RX7 Q99572 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ASPH Q12797 1/20 0.35
RIOX2 Q8IUF8 1/20 0.35
KDM8 Q8N371 1/20 0.35
RORC P51449 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
DHODH Q02127 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL10161636 0.94 ADAMTS4 (0.62) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10167701 0.93 MMP13 (0.68) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10167817 0.92 ADAMTS4 (0.66) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10167383 0.92 MMP13 (0.72) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10167790 0.92 ADAMTS4 (0.72) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10167704 0.92 ADAMTS4 (0.74) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10166242 0.91 MMP3 (0.73) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10167402 0.91 MMP13 (0.73) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10167798 0.91 ADAMTS4 (0.67) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10167833 0.91 ADAMTS4 (0.67) MMP13ADAMTS4MMP3MMP8MMP12

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

“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.