SCHEMBL4426559

SCHEMBL4426559

COC(=O)CC(N)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA2 P00918 3/20 0.38
DGAT1 O75907 1/20 0.36
CYP2D6 P10635 1/20 0.36
LTA4H P09960 1/20 0.35
SLC1A1 P43005 1/20 0.35
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
TSHR P16473 3/20 0.34
CA1 P00915 2/20 0.33
CA7 P43166 1/20 0.33
GAA P10253 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL25812653 1.00 CA12 (0.38) CA12CA14CA2DGAT1CYP2D6
SCHEMBL14666479 1.00 CA12 (0.38) CA12CA14CA2DGAT1CYP2D6
Hydrochloric Acid SCHEMBL14656788 0.98 CA12 (0.37) CA12CA14CA2DGAT1CYP2D6
Hydrochloric Acid SCHEMBL12501616 0.98 CA12 (0.37) CA12CA14CA2DGAT1CYP2D6
SCHEMBL25491161 0.89 SLC1A1 (0.35) CA12CA14CA2SLC1A1TSHR
SCHEMBL18758702 0.88 CYP2D6 (0.41) CA2DGAT1CYP2D6LTA4HNOS1
SCHEMBL1934270 0.88 CYP2D6 (0.41) CA2DGAT1CYP2D6LTA4HNOS1
SCHEMBL975517 0.88 CYP2D6 (0.41) CA2DGAT1CYP2D6LTA4HNOS1
Hydrochloric Acid SCHEMBL22398615 0.86 CYP2D6 (0.40) CA2CYP2D6LTA4HNOS1NOS3
Ammonia Solution, Strong SCHEMBL2393369 0.86 CYP2D6 (0.40) CA2CYP2D6LTA4HNOS1NOS3

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-20090324544-A1 SUBSTITUTED CYCLIC PYRROLIDINE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-12-31 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-20090324544-A1 SUBSTITUTED CYCLIC PYRROLIDINE DERIVATIVES EIF2AK2, NSUN2, RNMT CA12 4364/4885CA14 4212/4885CA2 4001/4885

“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.