SCHEMBL4087563

SCHEMBL4087563

CCOC(=O)C=Cc1ccc(CNNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.56
CA7 P43166 4/20 0.56
CA9 Q16790 4/20 0.56
CA14 Q9ULX7 4/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 2/20 0.56
CYP3A4 P08684 1/20 0.47
TTR P02766 1/20 0.46
DPP4 P27487 1/20 0.46
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
MET P08581 1/20 0.43
MAOB P27338 1/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
FDPS P14324 1/20 0.41
GAA P10253 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL4087559 1.00 CA12 (0.56) CA12CA7CA9CA14CA1
SCHEMBL6987937 0.88 CA12 (0.55) CA12CA7CA9CA14CA1
SCHEMBL30944751 0.88 CA12 (0.55) CA12CA7CA9CA14CA1
SCHEMBL4081996 0.86 TTR (0.45) CA12CA7CA9CA14CA1
SCHEMBL4081992 0.86 TTR (0.45) CA12CA7CA9CA14CA1
SCHEMBL1236287 0.82 CA12 (0.57) CA12CA7CA9CA14CA1
SCHEMBL1234608 0.82 CA12 (0.57) CA12CA7CA9CA14CA1
SCHEMBL4491710 0.81 CA1 (0.52) CA12CA7CA9CA14CA1
SCHEMBL16590377 0.81 CA12 (0.52) CA12CA7CA9CA14CA1
SCHEMBL1579754 0.80 CA12 (0.69) CA12CA7CA9CA14CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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 (1 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 CA12 1702/4885CA7 2058/4885CA9 2724/4885

“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.