SCHEMBL17347403

SCHEMBL17347403

CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(=O)NCCN1C(=O)C=CC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.53
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
DRD2 P14416 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GFER P55789 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL22915492 0.99 AKT1 (0.54) AKT1NPFFR1NPFFR2DRD2TDP1
SCHEMBL998261 0.89 AKT1 (0.59) AKT1DRD2TDP1ALDH1A1GFER
SCHEMBL29173773 0.88 AKT1 (0.45) AKT1NPFFR1NPFFR2DRD2TDP1
SCHEMBL16120857 0.86 AKT1 (0.53) AKT1DRD2TDP1SIGMAR1ALDH1A1
SCHEMBL19901583 0.86 AKT1 (0.43) AKT1NPFFR1NPFFR2TDP1SIGMAR1
SCHEMBL22987304 0.85 AKT1 (0.47) AKT1DRD2ALDH1A1LMNAOPRM1
SCHEMBL22100919 0.84 CA1 (0.51) AKT1DRD2TDP1SIGMAR1MEN1
SCHEMBL17347454 0.84 AKT1 (0.43) AKT1TLR2TLR1GAA
SCHEMBL17527969 0.82 AKT1 (0.48) AKT1DRD2TDP1SIGMAR1ALDH1A1
SCHEMBL700572 0.82 AKT1 (0.51) AKT1DRD2ALDH1A1GFERKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150359904-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN, INC. 2015-12-17 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-20150359904-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS CD47, PAICS, MCL1 AKT1 4467/4885NPFFR1 4675/4885NPFFR2 4812/4885

“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.