SCHEMBL2550833

SCHEMBL2550833

CC(CO[C@H]1CC[C@H](c2cc3ccc(OCC4CC4)cc3o2)CC1)OS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.38
ACACB O00763 5/20 0.38
MAOA P21397 2/20 0.36
MTNR1A P48039 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
GLA P06280 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA4 P22748 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
CYP1A2 P05177 1/20 0.32
CA6 P23280 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
RORC P51449 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL2550836 1.00 MAOB (0.38) MAOBACACBMAOAMTNR1AGPR119
SCHEMBL2553357 0.84 MAOB (0.41) MAOBACACBMAOAMTNR1AGLA
SCHEMBL2553358 0.84 MAOB (0.41) MAOBACACBMAOAMTNR1AGLA
SCHEMBL2546225 0.84 MAOB (0.39) MAOBACACBMAOAGLACA12
SCHEMBL2546222 0.84 MAOB (0.39) MAOBACACBMAOAGLACA12
SCHEMBL2553399 0.84 ACACB (0.42) ACACBGPR119
SCHEMBL2553397 0.84 ACACB (0.42) ACACBGPR119
SCHEMBL2548606 0.81 ACACB (0.59) ACACB
SCHEMBL2548605 0.81 ACACB (0.59) ACACB
SCHEMBL14734873 0.79 CA12 (0.41) MAOBMAOAMTNR1AGLACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563765-B1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL (JP) 2015-05-27 EP disclosed
US-8703758-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-22 US disclosed
EP-2563765-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
WO-2011136385-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-03 WO disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 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-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB MAOB 3507/4885ACACB 3/4885MAOA 3136/4885

“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.