SCHEMBL10165950

SCHEMBL10165950

O=C(NCc1cccc(OC(F)F)c1)c1cc(C(=O)NCC23CCC(C(=O)O)(CC2)CC3)n2ncc(F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 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
KIT P10721 2/20 0.37
ALDH1A1 P00352 3/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
ROCK2 O75116 4/20 0.36
ROCK1 Q13464 2/20 0.36
CLK1 P49759 1/20 0.36
POLB P06746 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
ALKBH1 Q13686 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL10162223 0.93 MMP13 (0.41) MMP13ADAMTS4MMP3KCNA5KCNH2
SCHEMBL8256711 0.93 ADAMTS4 (0.42) MMP13ADAMTS4MMP3KCNA5KCNH2
SCHEMBL8253119 0.92 MMP13 (0.43) MMP13ADAMTS4MMP3KCNB1ROCK2
SCHEMBL10165845 0.90 MMP13 (0.44) MMP13ADAMTS4MMP3ALDH1A1USP2
SCHEMBL8255711 0.87 KCNA5 (0.39) MMP13ADAMTS4MMP3KCNA5KCNH2
SCHEMBL8255651 0.85 MMP13 (0.43) MMP13ADAMTS4MMP3ALDH1A1USP2
SCHEMBL8253082 0.85 ADAMTS4 (0.46) MMP13ADAMTS4MMP3KCNA5KCNH2
SCHEMBL8254305 0.85 MMP13 (0.44) MMP13ADAMTS4MMP3ROCK2ROCK1
SCHEMBL10165941 0.84 MMP13 (0.48) MMP13ADAMTS4MMP3ALDH1A1USP2
SCHEMBL8253371 0.84 MMP13 (0.45) MMP13ADAMTS4MMP3MAPK1

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 7 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-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
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.