SCHEMBL5453309

SCHEMBL5453309

CC(C)CCNC(=O)Nc1sc2c(c1C(N)=O)CCSC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.46
▸ PTPRA P18433 1/20 0.46
▸ FLT3 P36888 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KIF11 P52732 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 2/20 0.40

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
SCHEMBL5465308 0.85 FLT3 (0.64) FLT3KDM4EMEN1KMT2ACYP1A2
SCHEMBL5450990 0.82 PTPN1 (0.51) PTPN1PTPRAFLT3KDM4EMEN1
SCHEMBL5450850 0.81 CFTR (0.58) PTPN1FLT3KDM4EMEN1KMT2A
SCHEMBL5458457 0.78 FLT3 (0.52) PTPN1PTPRAFLT3MEN1KMT2A
SCHEMBL5463075 0.77 FLT3 (0.53) PTPN1PTPRAFLT3KDM4EMEN1
SCHEMBL5460909 0.77 KMT2A (0.54) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5458986 0.76 PTPN1 (0.45) PTPN1PTPRAFLT3KDM4EMEN1
SCHEMBL5451319 0.76 KCNH2 (0.52) PTPN1PTPRAFLT3KDM4EMEN1
SCHEMBL5451512 0.76 FLT3 (0.49) PTPN1PTPRAFLT3KDM4EMEN1
SCHEMBL5455744 0.75 FLT3 (0.56) FLT3MEN1KMT2ASMN1; SMN2ALDH1A1

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 4 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
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 — — EP claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 — — WO 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 2633/4885FLT3 3509/4885

“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.

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