SCHEMBL5444367

SCHEMBL5444367

COC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CC[C@@H](C)C[C@@H]1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.54
ALDH1A1 P00352 8/20 0.47
HPGD P15428 7/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 5/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5444374 1.00 CNR2 (0.54) CNR2ALDH1A1HPGDCASP1CASP7
SCHEMBL14505561 0.91 CNR2 (0.43) CNR2ALDH1A1HPGDCASP1CASP7
SCHEMBL14505562 0.87 CNR2 (0.40) CNR2ALDH1A1HPGDCASP1CASP7
SCHEMBL14505564 0.83 CHEK1 (0.41) CNR2ALDH1A1HPGDGAAMEN1
SCHEMBL5436775 0.80 HPGD (0.42) CNR2ALDH1A1HPGDCASP1CASP7
SCHEMBL5436782 0.80 HPGD (0.42) CNR2ALDH1A1HPGDCASP1CASP7
SCHEMBL2158312 0.73 KDM4E (0.43) CNR2ALDH1A1HPGDGAAMEN1
SCHEMBL2158314 0.73 KDM4E (0.43) CNR2ALDH1A1HPGDGAAMEN1
SCHEMBL1563696 0.72 IKBKB (0.74) CNR2ALDH1A1HPGDCASP1CASP7
SCHEMBL14030883 0.71 KDM4E (0.40) CNR2ALDH1A1HPGDGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 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-20070099929-A1 Substituted thiophenes TPMT, HAVCR2, MTAP CNR2 2726/4885ALDH1A1 1246/4885HPGD 2665/4885

“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.