SCHEMBL125974

SCHEMBL125974

CCOC(=O)CNC(=O)CCC(=O)OC

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.70
RECQL P46063 1/20 0.57
TSHR P16473 3/20 0.50
ALDH1A1 P00352 5/20 0.47
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
HPGD P15428 1/20 0.46
CNR2 P34972 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.41
PPID Q08752 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29648539 0.86 RECQL (0.75) GAARECQLTSHRALDH1A1HPGD
SCHEMBL19057148 0.85 GAA (0.70) GAARECQLTSHRALDH1A1MGAM
SCHEMBL13602806 0.84 GAA (0.63) GAARECQLTSHRALDH1A1MGAM
SCHEMBL1892367 0.84 GAA (0.75) GAARECQLTSHRALDH1A1MGAM
SCHEMBL23135466 0.83 GAA (0.68) GAARECQLTSHRALDH1A1MGAM
SCHEMBL8576726 0.83 GAA (0.49) GAARECQLTSHRMGAMSI
SCHEMBL25379842 0.82 GAA (0.72) GAARECQLTSHRALDH1A1MGAM
SCHEMBL1981808 0.81 TSHR (0.68) GAATSHRALDH1A1MGAMSI
SCHEMBL40480 0.81 GAA (0.70) GAARECQLTSHRALDH1A1MGAM
SCHEMBL7663456 0.81 GAA (0.70) GAARECQLTSHRALDH1A1MGAM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273761-B2 Tricyclic compound and medical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
EP-2100895-B1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-03-07 EP disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
US-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
EP-2100895-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-16 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-20100029707-A1 TRICYCLIC COMPOUND AND MEDICAL USE THEREOF MTNR1A, MTNR1B, AHR GAA 3455/4885RECQL 1983/4885TSHR 276/4885

“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.