SCHEMBL10165293

SCHEMBL10165293

CC(C)(C)OC(=O)c1cc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)nc2c(F)cnn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 2/20 0.45
GUCY1A2 P33402 2/20 0.45
GUCY1A1 Q02108 2/20 0.45
GUCY1B1 Q02153 2/20 0.45
CNR1 P21554 4/20 0.40
CNR2 P34972 3/20 0.40
RORC P51449 1/20 0.39
DHODH Q02127 1/20 0.38
MAPK1 P28482 2/20 0.37
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
KIT P10721 1/20 0.36
JAK2 O60674 4/20 0.36
JAK3 P52333 3/20 0.36
JAK1 P23458 2/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP3 P08254 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL14450647 1.00 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CNR1
SCHEMBL10166409 0.89 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CNR1
SCHEMBL10166403 0.89 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CNR1
SCHEMBL10165314 0.88 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CNR1
SCHEMBL10166807 0.87 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CNR1
SCHEMBL13593705 0.85 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CNR1
SCHEMBL10166404 0.82 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CNR1
SCHEMBL13185647 0.80 GUCY1B2 (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CNR1
SCHEMBL10165280 0.76 ALDH1A1 (0.37) MAPK1MEN1ALDH1A1KMT2AADAMTS4
SCHEMBL13164206 0.74 GABRG2 (0.36) ALDH1A1ADAMTS4MMP3MMP13

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 GUCY1B2 3401/4885GUCY1A2 3955/4885GUCY1A1 3540/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 GUCY1B2 3401/4885GUCY1A2 3955/4885GUCY1A1 3540/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GUCY1B2 3401/4885GUCY1A2 3955/4885GUCY1A1 3540/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 GUCY1B2 3401/4885GUCY1A2 3955/4885GUCY1A1 3540/4885

“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.