SCHEMBL5458434

SCHEMBL5458434

CC1CC1C(=O)Nc1sc2c(c1C(N)=O)CCC1(C2)OCCO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK10 P53779 1/20 0.46
MDM2 Q00987 1/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FLT3 P36888 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
REV1 Q9UBZ9 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
SCHEMBL5453513 0.85 FLT3 (0.62) PTPN1POLBCASP6TDP1ALDH1A1
SCHEMBL19353146 0.81 PTPN1 (0.57) PTPN1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL5460380 0.81 CFTR (0.60) PTPN1POLBCASP6TDP1ALDH1A1
SCHEMBL5461038 0.79 FLT3 (0.70) POLBCASP6TDP1ALDH1A1HPGD
SCHEMBL5458993 0.78 POLB (0.59) PTPN1POLBALDH1A1HPGDTSHR
SCHEMBL4084325 0.76 PTPN1 (0.71) PTPN1POLBALDH1A1KDM4EMAPT
SCHEMBL5451305 0.76 MAPT (0.70) POLBALDH1A1HPGDHSD17B10KDM4E
SCHEMBL5453129 0.76 PTPN1 (0.50) PTPN1POLBCASP6TDP1ALDH1A1
SCHEMBL5448343 0.75 MEN1 (0.63) PTPN1ALDH1A1MAPTRAB9AFLT3
SCHEMBL5453580 0.75 MAPT (0.56) PTPN1POLBCASP6TDP1ALDH1A1

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 2192/4885POLB 404/4885CASP6 631/4885

“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.