SCHEMBL3497369

SCHEMBL3497369

COC(=O)c1cc(-c2ccccn2)sc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.46
KDM4E B2RXH2 5/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AXL P30530 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
HDAC3 O15379 1/20 0.39

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
SCHEMBL3497917 0.90 KDM4E (0.49) KDM4EALDH1A1HPGDMAPTHDAC3
SCHEMBL3496455 0.82 ALDH1A1 (0.58) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL13912299 0.82 HPGD (0.49) ATRKDM4ELMNAALDH1A1HPGD
SCHEMBL3498965 0.81 ALDH1A1 (0.47) ATRKDM4ELMNAALDH1A1HPGD
SCHEMBL3498603 0.80 KDM4E (0.54) ATRKDM4ELMNAALDH1A1HPGD
SCHEMBL14507341 0.77 HDAC3 (0.48) ATRKDM4ECYP1A2MAPTHDAC3
SCHEMBL18357791 0.77 MAPT (0.66) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL5430509 0.76 IKBKB (0.52) ATRKDM4ELMNAALDH1A1HPGD
SCHEMBL5435729 0.75 ALDH1A1 (0.42) ATRKDM4ELMNAALDH1A1HPGD
SCHEMBL5429738 0.73 JAK2 (0.43) ATRKDM4ELMNAALDH1A1HPGD

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 ATR 207/4885KDM4E 1730/4885LMNA 1022/4885

“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.