SCHEMBL13729454

SCHEMBL13729454

COc1cc(CNC(=O)c2cc(C(C)=O)nc(C)n2)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.53
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NOD2 Q9HC29 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3762298 0.91 MMP13 (0.53) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL8068341 0.90 MMP13 (0.52) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL8065850 0.89 MMP13 (0.53) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL8067164 0.88 MMP13 (0.54) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL13729083 0.87 MMP13 (0.55) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL8066237 0.86 MMP13 (0.49) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL13729214 0.86 MMP13 (0.51) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL13728389 0.86 MMP13 (0.55) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL3692307 0.85 MMP13 (0.51) MMP13ROCK2ROCK1MEN1KMT2A
SCHEMBL3690357 0.85 MMP13 (0.50) MMP13ROCK2ROCK1MEN1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBVIE INC. (US) 2015-10-22 US disclosed
US-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBVIE INC. (US) 2015-10-22 US disclosed
US-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBVIE INC. (US) 2015-10-22 US disclosed
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 US disclosed
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 US disclosed
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 US disclosed
EP-2704712-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS AbbVie Inc. (US) 2014-03-12 EP disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
WO-2012151158-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2012-11-08 WO disclosed
WO-2012151158-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2012-11-08 WO 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 (2 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-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS CYP3A7, CYP11B2, CYP11B1 MMP13 1996/4885ROCK2 4210/4885ROCK1 4035/4885
US-20130023526-A1 Isoxazolines as Therapeutic Agents CYP3A7, CYP11B2, CYP11B1 MMP13 1996/4885ROCK2 4210/4885ROCK1 4035/4885

“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.