SCHEMBL10162223

SCHEMBL10162223

CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4cccc(OC(F)F)c4)nc4c(F)cnn34)(CC1)CC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP3 P08254 1/20 0.41
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
KCNB1 Q14721 1/20 0.38
ROCK2 O75116 4/20 0.37
ROCK1 Q13464 2/20 0.37
CLK1 P49759 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KIT P10721 1/20 0.35
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
KLKB1 P03952 1/20 0.34

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
SCHEMBL8256711 0.93 ADAMTS4 (0.42) MMP13ADAMTS4MMP3KCNA5KCNH2
SCHEMBL10165950 0.93 MMP13 (0.41) MMP13ADAMTS4MMP3KCNA5KCNH2
SCHEMBL10162212 0.90 MMP13 (0.43) MMP13ADAMTS4MMP3USP2ALDH1A1
SCHEMBL10162222 0.89 MMP13 (0.43) MMP13ADAMTS4MMP3ROCK2USP2
SCHEMBL10162190 0.87 KCNA5 (0.39) MMP13ADAMTS4MMP3KCNA5KCNH2
SCHEMBL10162259 0.87 PDE2A (0.41) MMP13KCNA5KCNH2KCNB1ROCK2
SCHEMBL10162218 0.86 MMP13 (0.46) MMP13ADAMTS4MMP3ALDH1A1KLKB1
SCHEMBL8254305 0.85 MMP13 (0.44) MMP13ADAMTS4MMP3ROCK2ROCK1
SCHEMBL8253119 0.85 MMP13 (0.43) MMP13ADAMTS4MMP3KCNB1ROCK2
SCHEMBL10162221 0.85 MMP13 (0.43) MMP13ADAMTS4MMP3ALDH1A1POLB

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.