SCHEMBL3496255

SCHEMBL3496255

CCOC(=O)CCc1sc(-c2ccccc2)cc1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.54
HPGD P15428 12/20 0.54
MAPT P10636 7/20 0.54
GAA P10253 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HSD17B10 Q99714 3/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALOX15 P16050 1/20 0.54
LMNA P02545 2/20 0.52
KDM4E B2RXH2 4/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
GSTO1 P78417 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL3499637 0.74 ALDH1A1 (0.54) ALDH1A1HPGDMAPTGAAMEN1
SCHEMBL3499634 0.74 ALDH1A1 (0.54) ALDH1A1HPGDMAPTGAAMEN1
SCHEMBL3497321 0.74 ALDH1A1 (0.51) ALDH1A1HPGDMAPTGAAMEN1
SCHEMBL4417698 0.73 ALDH1A1 (0.80) ALDH1A1HPGDMAPTGAAMEN1
SCHEMBL4266992 0.72 ALDH1A1 (0.70) ALDH1A1HPGDMAPTGAAMEN1
SCHEMBL4262602 0.72 ALDH1A1 (0.49) ALDH1A1HPGDMAPTGAAMEN1
SCHEMBL976420 0.71 ALDH1A1 (0.72) ALDH1A1HPGDMAPTGAAMEN1
SCHEMBL13895884 0.71 ALDH1A1 (0.68) ALDH1A1HPGDMAPTGAAMEN1
SCHEMBL1563613 0.71 GAA (1.00) ALDH1A1HPGDMAPTGAAMEN1
SCHEMBL12987082 0.71 ALDH1A1 (0.68) ALDH1A1HPGDMAPTGAAMEN1

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 ALDH1A1 772/4885HPGD 1821/4885MAPT 4356/4885

“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.