SCHEMBL6077849

SCHEMBL6077849

CCO[C@@H](C(=O)NCc1ccc(C#N)cc1OCC(=O)NC)N1Cc2cc(OC)ccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.36
LMNA P02545 1/20 0.36
DGAT2 Q96PD7 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
ALK Q9UM73 2/20 0.33
VHL P40337 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ATM Q13315 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
SCHEMBL6077842 1.00 ENPP2 (0.36) ENPP2LMNADGAT2PKMTSHR
SCHEMBL6031012 0.92 LMNA (0.36) ENPP2LMNADGAT2MAPTTP53
SCHEMBL6077767 0.92 LMNA (0.36) ENPP2LMNADGAT2MAPTTP53
SCHEMBL6078475 0.86 F10 (0.40) LMNA
SCHEMBL6078484 0.86 F10 (0.40) LMNA
SCHEMBL6079105 0.86 LMNA (0.40) LMNADGAT2MAPTTP53VHL
SCHEMBL6079096 0.86 LMNA (0.40) LMNADGAT2MAPTTP53VHL
Acetic Acid SCHEMBL6078114 0.84 F10 (0.43) LMNA
SCHEMBL6078136 0.79 F10 (0.46) LMNA
SCHEMBL6078126 0.79 F10 (0.46) LMNA

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-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 ENPP2 47/4885LMNA 2335/4885DGAT2 4354/4885

“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.