SCHEMBL10161880

SCHEMBL10161880

CC(=O)c1ccc2c(c1C)CC[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)nc2c(F)cnn12

nearest known ligand 0.90

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.90
ADAMTS4 O75173 2/20 0.90
MMP3 P08254 2/20 0.90
MMP8 P22894 1/20 0.49
MMP12 P39900 1/20 0.49
P2RX7 Q99572 4/20 0.37
KLKB1 P03952 2/20 0.36
ENPP2 Q13822 1/20 0.35
NTRK1 P04629 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
DHODH Q02127 1/20 0.34
NR3C1 P04150 2/20 0.33
GPR52 Q9Y2T5 1/20 0.33
BTK Q06187 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
SCHEMBL8255038 0.95 MMP13 (1.00) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL13161130 0.94 MMP13 (0.85) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10210491 0.93 MMP13 (0.88) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161938 0.93 MMP13 (0.88) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162001 0.92 MMP13 (0.86) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161904 0.92 MMP13 (0.77) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162098 0.92 MMP13 (0.83) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161927 0.92 MMP13 (0.85) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10210611 0.92 MMP13 (0.88) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161903 0.92 ADAMTS4 (0.76) 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 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 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.