SCHEMBL10166186

SCHEMBL10166186

COC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccnc(C(F)(F)F)c4)nc4c(F)cnn34)(CC1)CC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.45
MMP3 P08254 1/20 0.45
MMP13 P45452 1/20 0.45
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
GRM2 Q14416 4/20 0.34
TRPA1 O75762 4/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
ENPP2 Q13822 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
RPS6KA1 Q15418 1/20 0.31
POLB P06746 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL8246340 0.92 ADAMTS4 (0.45) ADAMTS4MMP3MMP13CDK2GSK3B
SCHEMBL10165630 0.89 MMP13 (0.57) ADAMTS4MMP3MMP13MAPK1ALDH1A1
SCHEMBL10165628 0.89 MMP13 (0.47) ADAMTS4MMP3MMP13MAPK1ALDH1A1
SCHEMBL8254354 0.88 CDK2 (0.39) ADAMTS4MMP3MMP13CDK2GSK3B
SCHEMBL8253199 0.87 ADAMTS4 (0.44) ADAMTS4MMP3MMP13MAPK1ALDH1A1
SCHEMBL8253372 0.86 MMP13 (0.47) ADAMTS4MMP3MMP13MAPK1ALDH1A1
SCHEMBL8256473 0.86 MMP13 (0.47) ADAMTS4MMP3MMP13MAPK1ALDH1A1
SCHEMBL8246532 0.86 MMP13 (0.45) ADAMTS4MMP3MMP13MAPK1RPS6KA1
SCHEMBL8254305 0.85 MMP13 (0.44) ADAMTS4MMP3MMP13
SCHEMBL10166767 0.84 ALDH1A1 (0.43) ADAMTS4MMP3MMP13MAPK1ALDH1A1

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 9 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-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 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ADAMTS4 38/4885MMP3 3/4885MMP13 1/4885

“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.