SCHEMBL1069360

SCHEMBL1069360

CC(C)(C)C(CC(O)CO)NC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.33
PDE4A P27815 1/20 0.32
MMP1 P03956 1/20 0.32
TGFBR1 P36897 2/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
MME P08473 5/20 0.31
ACE P12821 2/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL394954 0.81 TGFBR1 (0.36) OR51E2MMP1TGFBR1MMEACE
SCHEMBL23855055 0.81 TGFBR1 (0.36) OR51E2MMP1TGFBR1MMEACE
SCHEMBL4595646 0.81 MME (0.34) MMP1TGFBR1MMELMNA
SCHEMBL1529699 0.75 NPC1 (0.45) MMEACE
SCHEMBL3910231 0.74 LAP3 (0.41) LMNA
SCHEMBL1132971 0.74 MEN1 (0.31) TGFBR1
SCHEMBL3914911 0.72 SLC1A2 (0.37)
SCHEMBL3157408 0.72 TGFBR1 (0.32) TGFBR1
SCHEMBL3156097 0.72 TGFBR1 (0.32) TGFBR1
SCHEMBL3899245 0.71 GRN (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160128945-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2016-05-12 US disclosed
US-8980322-B2 Controlled release composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-8722084-B2 Controlled release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
EP-2283827-A1 Controlled release preparation Takeda Pharmaceutical Company Limited (JP) 2011-02-16 EP disclosed
EP-2277510-A2 Controlled release preparation Takeda Pharmaceutical Company Limited (JP) 2011-01-26 EP disclosed
US-20100278911-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-04 US disclosed
US-7410981-B2 Prodrugs of imidazole derivatives, for use as proton pump inhibitors in the treatment of e.g. peptic ulcers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-12 US disclosed
US-20050222210-A1 Prodrugs of imidazole derivatives, for use as proton pump inhibitors in the treatment of e.g. peptic ulcers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-06 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-20050222210-A1 Prodrugs of imidazole derivatives, for use as proton pump inhibitors in the treatment of e.g. peptic ulcers SI, VIP, PGC OR51E2 4769/4885PDE4A 1064/4885MMP1 1062/4885
US-20160128945-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG OR51E2 3295/4885PDE4A 1741/4885MMP1 816/4885
US-20100278911-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG OR51E2 3295/4885PDE4A 1741/4885MMP1 816/4885

“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.