SCHEMBL689305

SCHEMBL689305

CCOC(=O)c1cccc(-c2csc(N)c2C(=O)OCC)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
MAPT P10636 6/20 0.70
MAPK1 P28482 2/20 0.70
PRKCZ Q05513 8/20 0.67
HSD17B10 Q99714 6/20 0.65
HPGD P15428 1/20 0.65
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
ALOX15 P16050 3/20 0.64
USP2 O75604 1/20 0.64
PRKCI P41743 2/20 0.61
GAA P10253 1/20 0.60
KEAP1 Q14145 1/20 0.60
TDP1 Q9NUW8 2/20 0.58
MPI P34949 1/20 0.57
LMNA P02545 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56

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
SCHEMBL27749686 0.93 ALDH1A1 (0.61) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL689612 0.89 HSD17B10 (0.77) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL8288638 0.89 PRKCZ (0.72) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL8288636 0.88 ALDH1A1 (0.70) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL689202 0.86 PRKCZ (0.73) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL8289775 0.86 ALDH1A1 (0.69) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL689025 0.86 PRKCZ (0.73) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL3974980 0.86 ALDH1A1 (0.65) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL1190649 0.85 PRKCZ (0.80) ALDH1A1MAPTMAPK1PRKCZHSD17B10
SCHEMBL689790 0.85 ALDH1A1 (0.78) ALDH1A1MAPTMAPK1PRKCZHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 ALDH1A1 423/4885MAPT 4287/4885MAPK1 1734/4885

“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.