SCHEMBL13185602

SCHEMBL13185602

Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccccc2SN[C@@H](C(=O)O)C(C)C)nc2ccnn12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.59
MMP3 P08254 2/20 0.59
MMP13 P45452 2/20 0.59
MMP8 P22894 1/20 0.59
MMP12 P39900 1/20 0.59
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CDK1 P06493 1/20 0.30
PIM1 P11309 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
GSK3A P49840 1/20 0.30
PLK1 P53350 1/20 0.30
AURKB Q96GD4 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
SCHEMBL13185601 1.00 ADAMTS4 (0.59) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL13185556 0.87 ADAMTS4 (0.49) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL13185555 0.87 ADAMTS4 (0.49) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167348 0.87 MMP13 (0.57) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167344 0.87 MMP13 (0.57) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167713 0.86 ADAMTS4 (0.66) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167710 0.85 ADAMTS4 (0.67) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167716 0.85 ADAMTS4 (0.65) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167402 0.84 MMP13 (0.73) ADAMTS4MMP3MMP13MMP8MMP12
SCHEMBL10167448 0.83 ADAMTS4 (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090137547-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.