SCHEMBL8254355

SCHEMBL8254355

Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(Cl)c2)nc2ccnn12

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 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
DGAT1 O75907 1/20 0.41
MAPK1 P28482 9/20 0.36
WDR5 P61964 3/20 0.35
PPARG P37231 1/20 0.35
CHEK2 O96017 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
CSNK1D P48730 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
CDK5 Q00535 1/20 0.34
MAPKAPK3 Q16644 1/20 0.34
RPS6KA1 Q15418 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
SCHEMBL8258431 0.97 MMP13 (0.66) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161627 0.94 MMP13 (0.63) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL14450858 0.94 MMP13 (0.62) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10163608 0.94 MMP13 (0.73) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8255684 0.93 MMP13 (0.61) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10166049 0.93 MMP13 (0.72) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10166018 0.91 MMP13 (0.64) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10167261 0.91 MMP13 (0.69) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8256486 0.91 MMP13 (0.64) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8247515 0.91 MMP13 (0.59) 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 11 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
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO 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.