SCHEMBL5451081

SCHEMBL5451081

CC(C)(C)C1CCC(NC(=O)Nc2sc3c(c2C(N)=O)CCOC3)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 1/20 0.54
CFTR P13569 1/20 0.53
ANO1 Q5XXA6 3/20 0.50
HPGD P15428 5/20 0.46
TSHR P16473 1/20 0.46
MAPK10 P53779 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MDM2 Q00987 1/20 0.46
MAPT P10636 5/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
PTPRC P08575 1/20 0.45
PTPN2 P17706 1/20 0.45

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
SCHEMBL5460559 0.89 CFTR (0.55) ALDH1A1NPSR1HTTCFTRHPGD
SCHEMBL5446212 0.87 CFTR (0.55) ALDH1A1NPSR1HTTCFTRHPGD
SCHEMBL5458466 0.86 ALDH1A1 (0.55) ALDH1A1NPSR1HTTCFTRANO1
SCHEMBL5448254 0.83 CFTR (0.55) ALDH1A1NPSR1HTTCFTRHPGD
SCHEMBL5458266 0.79 CFTR (0.50) ALDH1A1NPSR1HTTCFTRHPGD
SCHEMBL5460144 0.78 CFTR (0.53) ALDH1A1NPSR1HTTCFTRHPGD
SCHEMBL5467520 0.78 ANO1 (0.67) ALDH1A1NPSR1HTTCFTRANO1
SCHEMBL5460329 0.78 CFTR (0.62) ALDH1A1CFTRANO1HPGDTSHR
SCHEMBL5742528 0.77 PTPN1 (0.64) ALDH1A1CFTRANO1HPGDTSHR
SCHEMBL5444948 0.77 FLT3 (0.70) ALDH1A1NPSR1HTTCFTRHPGD

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 ALDH1A1 1153/4885NPSR1 3733/4885HTT 44/4885

“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.