SCHEMBL3876702

SCHEMBL3876702

CCCC(F)(F)C[C@H](N)C(=O)N[C@@H](CC)C(O)c1nnc(C2CC2)o1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
DPP4 P27487 1/20 0.30
ADCY8 P40145 1/20 0.30
ADCY1 Q08828 1/20 0.30

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
SCHEMBL3877224 0.84
SCHEMBL3871976 0.82 HCRTR1 (0.33)
SCHEMBL3870489 0.80 DPP4 (0.34) MEN1MAPTKMT2ADPP4
SCHEMBL3870506 0.76 HDAC6 (0.40)
SCHEMBL3874457 0.73 CTSK (0.41) MEN1MAPTKMT2A
SCHEMBL13937535 0.73 CTSK (0.41) MEN1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL3873959 0.71 MEN1 (0.34) MEN1MAPTKMT2ADPP4
SCHEMBL3879101 0.71 SMYD3 (0.40)
SCHEMBL3871199 0.71 HDAC4 (0.32)
SCHEMBL3873107 0.71 HCRTR1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 US disclosed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO 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-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK MEN1 4498/4885MAPT 2762/4885KMT2A 4409/4885

“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.