SCHEMBL10166037

SCHEMBL10166037

Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(CNC(N)=NC#N)c2)nc2ncnn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.56
MMP3 P08254 3/20 0.56
ADAMTS4 O75173 2/20 0.56
MMP8 P22894 1/20 0.53
MMP12 P39900 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
EGLN2 Q96KS0 3/20 0.34
CYP3A4 P08684 1/20 0.33
ENPP1 P22413 1/20 0.32
RPS27 P42677 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
KLKB1 P03952 2/20 0.31
PDE2A O00408 1/20 0.31
HPGD P15428 1/20 0.30
CHRM4 P08173 1/20 0.30
USP2 O75604 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
SCHEMBL13185613 1.00 MMP13 (0.56) MMP13MMP3ADAMTS4MMP8MMP12
SCHEMBL13165480 0.94 MMP13 (0.54) MMP13MMP3ADAMTS4MMP8MMP12
SCHEMBL8256487 0.92 MMP13 (0.57) MMP13MMP3ADAMTS4MMP8MMP12
SCHEMBL10165618 0.90 ADAMTS4 (0.46) MMP13MMP3ADAMTS4MMP8MMP12
SCHEMBL10208959 0.89 MMP13 (0.58) MMP13MMP3ADAMTS4MMP8MMP12
SCHEMBL14451068 0.89 ADAMTS4 (0.53) MMP13MMP3ADAMTS4MMP8MMP12
SCHEMBL13161102 0.89 ADAMTS4 (0.48) MMP13MMP3ADAMTS4MMP8MMP12
SCHEMBL10166003 0.89 MMP13 (0.58) MMP13MMP3ADAMTS4MMP8MMP12
SCHEMBL8255838 0.88 MMP13 (0.60) MMP13MMP3ADAMTS4MMP8MMP12
SCHEMBL8254012 0.86 MMP13 (0.63) MMP13MMP3ADAMTS4MMP8MMP12

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 4 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-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 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 (3 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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MMP13 1/4885MMP3 3/4885ADAMTS4 38/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885MMP3 3/4885ADAMTS4 38/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885MMP3 3/4885ADAMTS4 38/4885

“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.