SCHEMBL962830

SCHEMBL962830

CCOC(=O)CCNS(=O)(=O)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.54
CA2 P00918 7/20 0.54
CA12 O43570 5/20 0.54
CA9 Q16790 4/20 0.54
CA7 P43166 3/20 0.52
CA14 Q9ULX7 3/20 0.52
ACHE P22303 5/20 0.51
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.45
LTA4H P09960 2/20 0.45
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TOP2A P11388 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL964611 0.87 CA1 (0.57) CA1CA2CA12CA9CA7
SCHEMBL29206826 0.85 CA1 (0.58) CA1CA2CA12CA9CA7
SCHEMBL7769202 0.83 NPC1 (0.50) CA1CA2CA12CA9LMNA
Hydrochloric Acid SCHEMBL7773271 0.82 NPC1 (0.49) CA1CA2CA12CA9LMNA
SCHEMBL3295121 0.81 HTT (0.62) LMNANPC1RAB9AHTTSMN1; SMN2
SCHEMBL5919563 0.79 CA1 (0.76) CA1CA2CA12CA9ACHE
SCHEMBL12959651 0.78 LMNA (0.51) CA1CA2CA12CA9CA7
SCHEMBL30136175 0.77 CA12 (0.68) CA1CA2CA12CA9CA7
Glycolic Acid SCHEMBL27895348 0.77 HTT (0.60) LMNANPC1RAB9AHTTSMN1; SMN2
SCHEMBL29206803 0.77 CA1 (0.54) CA1CA2CA12CA9CA7

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
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 CA1 1123/4885CA2 466/4885CA12 1162/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CA1 4432/4885CA2 3200/4885CA12 4707/4885

“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.