Sugi Predict

Sugi Predict / Compounds / SCHEMBL10161734

SCHEMBL10161734

SCHEMBL10161734

CC(=O)c1ccc2c(c1)C[C@@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(F)c(OC(F)F)c2)nc2ccnn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 7/20 0.39
▸ ADAMTS4 O75173 2/20 0.39
▸ MMP3 P08254 2/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ CHRM2 P08172 3/20 0.34
▸ CHRM1 P11229 3/20 0.34
▸ CHRM4 P08173 2/20 0.34
▸ GUCY1B2 O75343 1/20 0.34
▸ GUCY1A2 P33402 1/20 0.34
▸ GUCY1A1 Q02108 1/20 0.34
▸ GUCY1B1 Q02153 1/20 0.34
▸ PDE4A P27815 3/20 0.33
▸ PDE4B Q07343 3/20 0.33
▸ PDE4C Q08493 3/20 0.33
▸ PDE4D Q08499 3/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ ROCK2 O75116 2/20 0.32
▸ RORC P51449 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32

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
SCHEMBL13161089 1.00 MMP13 (0.39) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161729 0.91 MMP13 (0.41) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL13161094 0.91 MMP13 (0.41) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161739 0.91 RIPK1 (0.41) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL13161091 0.91 RIPK1 (0.41) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL13161095 0.90 ROCK2 (0.42) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161738 0.90 ROCK2 (0.42) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10161654 0.90 MMP13 (0.46) MMP13ADAMTS4MMP3CHRM2CHRM1
SCHEMBL10161693 0.90 MMP13 (0.46) MMP13ADAMTS4MMP3CHRM2CHRM1
SCHEMBL10161727 0.90 MMP13 (0.42) MMP13ADAMTS4MMP3MMP8MMP12

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 5 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-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 (3 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-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.