SCHEMBL3496757

SCHEMBL3496757

CCOC(=O)C1CCc2c(sc(N)c2C(=O)OC(C)(C)C)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.61
MAPT P10636 12/20 0.61
HPGD P15428 8/20 0.61
KDM4E B2RXH2 7/20 0.61
GAA P10253 6/20 0.61
HSD17B10 Q99714 5/20 0.61
ALOX15 P16050 4/20 0.61
TSHR P16473 1/20 0.61
ALOX12 P18054 1/20 0.61
ADORA1 P30542 4/20 0.53
LIMK1 P53667 1/20 0.53
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ANO1 Q5XXA6 1/20 0.46
PDK1 Q15118 1/20 0.46
RECQL P46063 2/20 0.41
POLB P06746 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
SCHEMBL21597821 0.91 ALDH1A1 (0.52) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL5629040 0.91 MAPT (0.73) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL5451294 0.86 ALDH1A1 (0.60) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL3498811 0.86 ALDH1A1 (0.59) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL5451299 0.86 ALDH1A1 (0.60) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL18135595 0.85 MAPT (0.74) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL8190412 0.81 ALDH1A1 (0.62) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL6376110 0.80 MAPT (0.53) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL8200581 0.79 ALDH1A1 (0.63) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL5118588 0.78 MEN1 (0.53) ALDH1A1MAPTHPGDKDM4EGAA

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 772/4885MAPT 4356/4885HPGD 1821/4885

“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.