SCHEMBL5458236

SCHEMBL5458236

NC(=O)c1c(NC(=O)NC2CCCCC2)sc2c1CCSC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
PTPRA P18433 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FLT3 P36888 3/20 0.47
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK10 P53779 1/20 0.46
MDM2 Q00987 1/20 0.46
ALOX15 P16050 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
ANO1 Q5XXA6 1/20 0.44
CNR2 P34972 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
SCHEMBL5454129 0.81 PTPN1 (0.52) PTPN1ALDH1A1HPGDKDM4EMAPT
SCHEMBL5465555 0.81 PTPN1 (0.48) PTPN1PTPRAALDH1A1HPGDKDM4E
SCHEMBL5458466 0.81 ALDH1A1 (0.55) PTPN1ALDH1A1HPGDKDM4EMAPT
SCHEMBL5450990 0.80 PTPN1 (0.51) PTPN1PTPRAALDH1A1HPGDKDM4E
SCHEMBL3914236 0.79 FLT3 (0.70) PTPN1PTPRAALDH1A1HPGDKDM4E
SCHEMBL5446212 0.79 CFTR (0.55) PTPN1ALDH1A1HPGDKDM4EMAPT
SCHEMBL17018732 0.76 KCNH2 (0.63) ALDH1A1HPGDKDM4EMAPTRAB9A
Hydrochloric Acid SCHEMBL16962100 0.76 KCNH2 (0.64) ALDH1A1HPGDKDM4EMAPTRAB9A
SCHEMBL5449509 0.75 PTPN1 (0.51) PTPN1PTPRAALDH1A1HPGDKDM4E
SCHEMBL5449286 0.75 PTPN1 (0.55) PTPN1ALDH1A1HPGDKDM4EMAPT

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 PTPN1 2192/4885PTPRA 2633/4885ALDH1A1 1153/4885

“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.