SCHEMBL10166973

SCHEMBL10166973

O=C(NCc1ccc(F)c(C(F)(F)F)c1)c1cc(C(=O)NCC23C4C5C2C2C3C4C52C(=O)O)n2ncc(F)c2n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.57
ADAMTS4 O75173 1/20 0.57
MMP3 P08254 1/20 0.57
RAF1 P04049 1/20 0.36
P2RX7 Q99572 5/20 0.36
VNN1 O95497 1/20 0.35
SCN9A Q15858 1/20 0.35
PTGER4 P35408 1/20 0.34
NR3C1 P04150 1/20 0.34
MAPK1 P28482 1/20 0.34
RPS6KA1 Q15418 1/20 0.34
MMP10 P09238 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
SUCNR1 Q9BXA5 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
SCHEMBL10166415 0.93 MMP13 (0.58) MMP13ADAMTS4MMP3RAF1P2RX7
SCHEMBL10162288 0.93 MMP13 (0.56) MMP13ADAMTS4MMP3RAF1P2RX7
SCHEMBL10162295 0.92 MMP13 (0.55) MMP13ADAMTS4MMP3RAF1P2RX7
SCHEMBL14452134 0.90 MMP13 (0.55) MMP13ADAMTS4MMP3RAF1P2RX7
SCHEMBL10166974 0.85 MMP13 (0.44) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10165948 0.84 MMP13 (0.57) MMP13ADAMTS4MMP3RAF1P2RX7
SCHEMBL8246189 0.84 MMP13 (0.65) MMP13ADAMTS4MMP3RAF1P2RX7
SCHEMBL14449939 0.82 MMP13 (0.40) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10165571 0.81 MMP13 (0.61) MMP13ADAMTS4MMP3RAF1P2RX7
SCHEMBL10209502 0.81 MMP13 (0.47) MMP13ADAMTS4MMP3MMP8

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.