SCHEMBL2809243

SCHEMBL2809243

COC(=O)c1sc(C(=O)OC)c(C)c1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
TSHR P16473 4/20 0.56
KMT2A Q03164 3/20 0.56
HSD17B10 Q99714 3/20 0.56
ALDH1A1 P00352 10/20 0.55
HPGD P15428 4/20 0.55
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.43
HTT P42858 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL13480743 0.88 ALDH1A1 (0.50) MAPTTSHRKMT2AHSD17B10ALDH1A1
SCHEMBL9367309 0.86 ALDH1A1 (0.49) MAPTTSHRKMT2AHSD17B10ALDH1A1
Cyclopropane SCHEMBL11657658 0.85 ALDH1A1 (0.47) MAPTTSHRKMT2AHSD17B10ALDH1A1
SCHEMBL2722861 0.84 ALDH1A1 (0.47) MAPTTSHRKMT2AHSD17B10ALDH1A1
SCHEMBL14485231 0.84 ALDH1A1 (0.47) MAPTTSHRKMT2AHSD17B10ALDH1A1
SCHEMBL9368306 0.84 ALDH1A1 (0.51) MAPTTSHRKMT2AHSD17B10ALDH1A1
SCHEMBL171082 0.80 ALDH1A1 (0.61) MAPTTSHRKMT2AHSD17B10ALDH1A1
SCHEMBL11118422 0.80 ALDH1A1 (0.47) MAPTTSHRKMT2AHSD17B10ALDH1A1
SCHEMBL1086028 0.79 KMT2A (0.56) MAPTTSHRKMT2AHSD17B10ALDH1A1
SCHEMBL15210919 0.79 MAPT (0.56) MAPTTSHRKMT2AHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
EP-2068855-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-06-17 EP disclosed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS SLC40A1, PAH, FECH MAPT 323/4885TSHR 623/4885KMT2A 1238/4885

“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.