SCHEMBL3499341

SCHEMBL3499341

O=C(O)c1cc(-c2ccccc2)sc1I

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
MAPT P10636 4/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
PTPN5 P54829 1/20 0.54
IKBKB O14920 4/20 0.53
KDM4E B2RXH2 2/20 0.51
ADORA1 P30542 1/20 0.50
GFER P55789 1/20 0.49
ERO1A Q96HE7 1/20 0.48
JAK2 O60674 2/20 0.47
JAK3 P52333 1/20 0.47
POLB P06746 2/20 0.47
ACLY P53396 1/20 0.46
ABCC1 P33527 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
SCHEMBL3498206 0.82 ALDH1A1 (0.68) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL4264881 0.79 GAA (0.66) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL939706 0.78 GAA (0.64) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL1062225 0.78 GAA (1.00) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL939629 0.78 GAA (0.64) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL2158793 0.74 PTPRF (0.55) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL23412818 0.74 ALDH1A1 (0.58) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL21259118 0.74 NPC1 (0.67) GAAMEN1KMT2AALDH1A1HPGD
Formamide SCHEMBL28359882 0.73 GAA (0.87) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL1579523 0.73 JAK2 (0.78) GAAMEN1KMT2AALDH1A1HPGD

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
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC GAA 717/4885MEN1 4260/4885KMT2A 3284/4885

“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.