SCHEMBL13348132

SCHEMBL13348132

COC(=O)c1cc(CO)sc1NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.54
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPT P10636 4/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATR Q13535 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KMT2A Q03164 2/20 0.41
REV1 Q9UBZ9 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 4/20 0.38

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
SCHEMBL3500334 0.81 HSD17B10 (0.44) HSD17B10ALDH1A1KDM4EHPGDTSHR
SCHEMBL3495625 0.79 HSD17B10 (0.41) HSD17B10ALDH1A1KDM4EHPGDTSHR
SCHEMBL4169623 0.78 RAF1 (0.44) KDM4E
SCHEMBL4769749 0.76 RAF1 (0.43) KDM4E
SCHEMBL3499136 0.75 GRIN2C (0.44) HSD17B10ALDH1A1KDM4EHPGDTSHR
SCHEMBL3496455 0.75 ALDH1A1 (0.58) HSD17B10ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL3498965 0.74 ALDH1A1 (0.47) HSD17B10ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL5430509 0.74 IKBKB (0.52) HSD17B10ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL2829793 0.73 ALDH1A1 (0.56) HSD17B10ALDH1A1KDM4EHPGDMAPT
SCHEMBL5435729 0.73 ALDH1A1 (0.42) HSD17B10ALDH1A1KDM4EHPGDCYP1A2

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 1 patent. 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

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 HSD17B10 92/4885ALDH1A1 772/4885KDM4E 1730/4885

“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.