SCHEMBL5467337

SCHEMBL5467337

CCOC(=O)C1CCc2c(sc(NC(=O)Nc3ccc(SC)cc3)c2C(N)=O)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.57
POLB P06746 2/20 0.52
KCNH2 Q12809 6/20 0.49
TLR2 O60603 4/20 0.48
KDM4E B2RXH2 4/20 0.47
KMT2A Q03164 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
USP2 O75604 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DUSP3 P51452 1/20 0.43

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
SCHEMBL5447659 0.89 TNIK (0.58) TNIKPOLBKCNH2TLR2NPSR1
SCHEMBL5459133 0.83 TNIK (0.59) TNIKKCNH2KDM4EKMT2AMAPT
SCHEMBL5459270 0.83 TNIK (0.54) TNIKPOLBKCNH2TLR2KDM4E
SCHEMBL5450835 0.80 POLB (0.62) POLBKDM4EKMT2AALDH1A1MAPT
SCHEMBL18220909 0.78 TNIK (0.55) TNIKKCNH2KDM4EKMT2ANPSR1
SCHEMBL5458342 0.77 CFTR (0.59) TNIKKCNH2KDM4EKMT2AMAPT
SCHEMBL5458229 0.75 TNIK (0.61) TNIKPOLBKCNH2TLR2MAPT
SCHEMBL5451294 0.73 ALDH1A1 (0.60) POLBKDM4EKMT2AALDH1A1GAA
SCHEMBL5451299 0.73 ALDH1A1 (0.60) POLBKDM4EKMT2AALDH1A1GAA
SCHEMBL5458879 0.73 TNIK (0.58) TNIKPOLBKCNH2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US claimed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 TNIK 4134/4885POLB 404/4885KCNH2 3409/4885

“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.