SCHEMBL16867321

SCHEMBL16867321

CCCC(N)C(C)(OC)C(=O)NC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MME P08473 1/20 0.33
SMYD3 Q9H7B4 2/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSD11B1 P28845 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SSTR4 P31391 1/20 0.30
EPHX1 P07099 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GPR88 Q9GZN0 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
SCHEMBL16867320 0.87 METAP1 (0.35) METAP1PKMSMN1; SMN2MMESMYD3
SCHEMBL16859335 0.84 METAP1 (0.37) METAP1PKMSMN1; SMN2MMESMYD3
SCHEMBL16867319 0.84 PKM (0.37) METAP1PKMSMN1; SMN2SMYD3PDK1
SCHEMBL8235028 0.77 PKM (0.54) METAP1PKMSMN1; SMN2MMESMYD3
SCHEMBL15828212 0.77 METAP1 (0.36) METAP1PKMSMN1; SMN2MMESMYD3
SCHEMBL16859333 0.77 METAP1 (0.36) METAP1PKMSMN1; SMN2MMESMYD3
SCHEMBL16867313 0.76 CA1 (0.35) ALDH1A1LMNA
SCHEMBL16867322 0.73 PKM (0.36) METAP1PKMSMN1; SMN2MMESMYD3
SCHEMBL10075515 0.70 METAP1 (0.35) METAP1PKMSMN1; SMN2MMESMYD3
SCHEMBL16871163 0.69 HDAC4 (0.41) ALDH1A1EPHX1

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-9346853-B2 Synthesis of telaprevir and boceprevir, or pharmaceutically acceptable salts or solvates as well as intermediate products thereof including β-amino acids prepared via Mukaiyama aldol addition SANDOZ AG (CH) 2016-05-24 US disclosed
US-20150183824-A1 SYNTHESIS OF TELAPREVIR AND BOCEPREVIR, OR PHARMACEUTICALLY ACCEPTABLE SALTS OR SOLVATES AS WELL AS INTERMEDIATE PRODUCTS THEREOF INCLUDING beta-AMINO ACIDS PREPARED VIA MUKAIYAMA ALDOL ADDITION SANDOZ AG (CH) 2015-07-02 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-20150183824-A1 SYNTHESIS OF TELAPREVIR AND BOCEPREVIR, OR PHARMACEUTICALLY ACCEPTABLE SALTS OR SOLVATES AS WELL AS INTERMEDIATE PRODUCTS THEREOF INCLUDING beta-AMINO ACIDS PREPARED VIA MUKAIYAMA ALDOL ADDITION MME, AGT, ACE METAP1 31/4885PKM 264/4885SMN1; SMN2 943/4885

“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.