SCHEMBL5441982

SCHEMBL5441982

COC(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.50
RBBP4 Q09028 1/20 0.50
SUZ12 Q15022 1/20 0.50
EZH2 Q15910 1/20 0.50
AEBP2 Q6ZN18 1/20 0.50
MAPT P10636 3/20 0.48
THRB P10828 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 2/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
HTT P42858 2/20 0.42
NAMPT P43490 1/20 0.42
GPR119 Q8TDV5 4/20 0.41
TP53 P04637 1/20 0.41
STS P08842 2/20 0.41
EPHX1 P07099 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL26978240 0.88 KDM4E (0.50) MAPTTHRBKDM4EPTPN2PTPN1
SCHEMBL3718737 0.88 ALDH1A1 (0.52) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL5729820 0.84 MAPT (0.38) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL5429190 0.84 ALDH1A1 (0.46) MAPTKDM4EALDH1A1HTTNPC1
SCHEMBL13160410 0.83 KDM4E (0.52) MAPTTHRBKDM4EALDH1A1PTPN2
SCHEMBL27712946 0.82 ALDH1A1 (0.40) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL5449859 0.82 EED (0.49) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL2775462 0.81 ALDH1A1 (0.51) MAPTKDM4EALDH1A1NPC1MAPK1
SCHEMBL25483959 0.79 STS (0.50) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL3662027 0.78 ADORA1 (0.46) MAPTKDM4EALDH1A1GPR119TP53

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 EED 2833/4885RBBP4 1880/4885SUZ12 1260/4885

“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.