Sugi Predict

Sugi Predict / Compounds / SCHEMBL10161671

SCHEMBL10161671

SCHEMBL10161671

CC(=O)c1ccc2c(c1)C[C@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2cccc(OC(F)F)c2)nc2c(F)cnn12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 7/20 0.43
▸ ADAMTS4 O75173 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ ROCK2 O75116 5/20 0.39
▸ ROCK1 Q13464 1/20 0.38
▸ CHRM1 P11229 2/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KCNB1 Q14721 1/20 0.35
▸ GUCY1B2 O75343 1/20 0.35
▸ GUCY1A2 P33402 1/20 0.35
▸ GUCY1A1 Q02108 1/20 0.35
▸ GUCY1B1 Q02153 1/20 0.35
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL10161698 1.00 MMP13 (0.43) MMP13ADAMTS4MMP3ROCK2ROCK1
SCHEMBL8253368 0.94 MMP13 (0.43) MMP13ADAMTS4MMP3ROCK2ROCK1
SCHEMBL8246528 0.94 MMP13 (0.43) MMP13ADAMTS4MMP3ROCK2ROCK1
SCHEMBL10165929 0.94 MMP13 (0.45) MMP13ADAMTS4MMP3ROCK2ROCK1
SCHEMBL8255786 0.94 MMP13 (0.45) MMP13ADAMTS4MMP3ROCK2ROCK1
SCHEMBL10161665 0.93 ADAMTS4 (0.46) MMP13ADAMTS4MMP3ROCK2ROCK1
SCHEMBL10161697 0.93 ADAMTS4 (0.46) MMP13ADAMTS4MMP3ROCK2ROCK1
SCHEMBL10161654 0.92 MMP13 (0.46) MMP13ADAMTS4MMP3ROCK2ROCK1
SCHEMBL10161693 0.92 MMP13 (0.46) MMP13ADAMTS4MMP3ROCK2ROCK1
SCHEMBL10161719 0.90 MMP13 (0.46) MMP13ADAMTS4MMP3ROCK2ROCK1

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.