SCHEMBL12890253

SCHEMBL12890253

CCC(C)[C@@H](C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CA14 Q9ULX7 2/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 4/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
CA12 O43570 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35

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
SCHEMBL11041537 1.00 CA1 (0.43) CA1CA2SMN1; SMN2CA14POLB
SCHEMBL11922731 1.00 CA1 (0.43) CA1CA2SMN1; SMN2CA14POLB
SCHEMBL15041053 1.00 CA1 (0.43) CA1CA2SMN1; SMN2CA14POLB
SCHEMBL13366801 1.00 CA1 (0.43) CA1CA2SMN1; SMN2CA14POLB
SCHEMBL8223673 1.00 CA1 (0.43) CA1CA2SMN1; SMN2CA14POLB
SCHEMBL15041052 1.00 CA1 (0.43) CA1CA2SMN1; SMN2CA14POLB
SCHEMBL28713977 0.86 CA1 (0.41) CA1CA2SMN1; SMN2CA14POLB
SCHEMBL17862091 0.84 SMN1; SMN2 (0.44) CA1CA2SMN1; SMN2CA14POLB
SCHEMBL8527411 0.84 SMN1; SMN2 (0.41) CA1CA2SMN1; SMN2CA14POLB
SCHEMBL6113085 0.82 TSHR (0.38) CA1CA2ALDH1A1MAPTMME

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-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 US disclosed
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof MERCK SHARP & DOHME CORP. 2008-03-27 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-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof LIPC, ZDHHC20, FABP1 CA1 4771/4885CA2 4566/4885SMN1; SMN2 808/4885

“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.