SCHEMBL6709591

SCHEMBL6709591

CC[C@H](CNNC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
APLNR P35414 1/20 0.40
CA12 O43570 5/20 0.39
CA14 Q9ULX7 3/20 0.39
SYK P43405 1/20 0.39
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSK P43235 4/20 0.36
CTSS P25774 2/20 0.36
CA7 P43166 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CA9 Q16790 2/20 0.33
SERPINE1 P05121 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL23089857 0.83 CA1 (0.49) CA1CA2CA12CA14SYK
SCHEMBL23089858 0.83 CA1 (0.49) CA1CA2CA12CA14SYK
SCHEMBL18756255 0.80 APLNR (0.41) CA1CA2APLNRCA12CA14
SCHEMBL6709616 0.80 CA12 (0.44) CA1CA2APLNRCA12CA14
SCHEMBL2671597 0.75 APLNR (0.46) CA1CA2APLNRCA12CA14
SCHEMBL5325084 0.75 APLNR (0.42) CA1CA2APLNRCA12CA14
SCHEMBL659421 0.74 MEN1 (0.50) CA1CA2APLNRCA12CA14
SCHEMBL1846651 0.73 CTSK (0.44) CA1CA2APLNRCA12CA14
SCHEMBL6168157 0.73 CTSK (0.48) CA1CA2CTSKCTSSCA7
SCHEMBL6168154 0.73 CTSK (0.48) CA1CA2CTSKCTSSCA7

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-20040067988-A1 Piperididinyl and N-amidinopiperidinyl derivatives AVENTIS PHARMACEUTICALS INC. (US) 2004-04-08 US disclosed
US-6277865-B1 ANTICOAGULANTS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-08-21 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-20040067988-A1 Piperididinyl and N-amidinopiperidinyl derivatives TFPI, F2, SERPINC1 CA1 2471/4885CA2 2801/4885APLNR 253/4885

“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.