SCHEMBL7601771

SCHEMBL7601771

CCN(C[C@H](F)[C@@H](C)O)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.36
SSTR4 P31391 1/20 0.32
APLNR P35414 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CTSK P43235 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
SCHEMBL19246067 0.83 CA14 (0.36) CA14SSTR4HDAC1HDAC2HDAC6
SCHEMBL29746689 0.83 CA14 (0.40) CA14SSTR4APLNRHDAC1HDAC2
SCHEMBL19750797 0.81 CA1 (0.41) CA14SSTR4HDAC1HDAC2HDAC6
SCHEMBL23817201 0.80 CA14 (0.32) CA14APLNRHDAC1HDAC2HDAC6
SCHEMBL24904226 0.80 CA14 (0.32) CA14APLNRHDAC1HDAC2HDAC6
SCHEMBL23073608 0.78 CA14 (0.36) CA14SSTR4HDAC1HDAC2HDAC6
SCHEMBL19891780 0.78 DPP4 (0.37) CA14SSTR4HDAC1HDAC2HDAC6
SCHEMBL23331816 0.78 CA14 (0.36) CA14SSTR4HDAC1HDAC2HDAC6
SCHEMBL13715964 0.78 CA14 (0.39) CA14SSTR4HDAC1HDAC2HDAC6
SCHEMBL1962792 0.76 MEN1 (0.45) CA14SSTR4HDAC1HDAC2HDAC6

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-8183381-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders METABOLEX INC. (US) 2012-05-22 US disclosed
US-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2009-05-28 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-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R CA14 4242/4885SSTR4 81/4885APLNR 98/4885

“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.