SCHEMBL5564933

SCHEMBL5564933

CC(C)(C)OC(=O)NCc1cccc(C(=O)NC2CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.55
ROCK2 O75116 6/20 0.52
ROCK1 Q13464 2/20 0.52
MAPK14 Q16539 2/20 0.52
CTDSP1 Q9GZU7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
NR1H4 Q96RI1 1/20 0.47
NPC1 O15118 1/20 0.47
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL7771603 0.92 ROCK2 (0.53) SMYD3ROCK2ROCK1MAPK14CTDSP1
SCHEMBL7766531 0.88 KMT2A (0.62) RAB9A
SCHEMBL1299449 0.87 BRD4 (0.44) SMYD3ROCK2ROCK1MAPK14CTDSP1
SCHEMBL1299448 0.87 BRD4 (0.44) SMYD3ROCK2ROCK1MAPK14CTDSP1
SCHEMBL1299766 0.87 BRD4 (0.44) SMYD3ROCK2ROCK1MAPK14CTDSP1
SCHEMBL8341550 0.85 NAMPT (0.55) MAPK14HPGDSMN1; SMN2
SCHEMBL20474743 0.84 HDAC6 (0.56) LMNANR1H4HPGD
SCHEMBL184425 0.83 NR1H4 (0.61) NR1H4NPC1BRD4RAB9A
SCHEMBL13999403 0.83 ROCK2 (0.50) ROCK2ROCK1LMNANR1H4NPC1
SCHEMBL1300236 0.83 BRD4 (0.42) NR1H4BRD4CREBBP

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-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
EP-1758861-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-03-07 EP disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 WO disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 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 (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-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 SMYD3 4258/4885ROCK2 1702/4885ROCK1 2267/4885

“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.