SCHEMBL8252115

SCHEMBL8252115

COC(=O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(Cl)c2)nc2c(F)cnn12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.47
ADAMTS4 O75173 1/20 0.47
MMP3 P08254 1/20 0.47
MAPK1 P28482 6/20 0.35
RPS6KA1 Q15418 1/20 0.35
ALK Q9UM73 1/20 0.35
GUCY1B2 O75343 1/20 0.34
GUCY1A2 P33402 1/20 0.34
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34
RORC P51449 2/20 0.34
CCR1 P32246 1/20 0.34
ROCK2 O75116 1/20 0.34
DGAT1 O75907 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL10165576 1.00 MMP13 (0.47) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10161652 0.93 MMP13 (0.48) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10161692 0.93 MMP13 (0.48) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8255787 0.92 MMP13 (0.50) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10165932 0.92 MMP13 (0.50) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8252838 0.92 MMP13 (0.46) MMP13ADAMTS4MMP3GUCY1B2GUCY1A2
SCHEMBL8255802 0.92 MMP13 (0.46) MMP13ADAMTS4MMP3GUCY1B2GUCY1A2
SCHEMBL10165574 0.91 MMP13 (0.58) MMP13ADAMTS4MMP3GUCY1B2GUCY1A2
SCHEMBL10165421 0.91 MMP13 (0.58) MMP13ADAMTS4MMP3GUCY1B2GUCY1A2
SCHEMBL10161552 0.90 MMP13 (0.45) MMP13ADAMTS4MMP3MAPK1RPS6KA1

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.