SCHEMBL9920123

SCHEMBL9920123

CC(=O)CCNC(=O)CCc1ccc(NC(=O)CCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL13643870 1.00 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL13643868 0.94 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL13643849 0.89 CA12 (0.42) CA12CA1CA2CA4CA9
SCHEMBL13643846 0.88 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL13643852 0.85 CA12 (0.39) CA12CA1CA2CA4CA9
SCHEMBL13643843 0.85 OPRK1 (0.42) CA12CA1CA2CA4CA9
SCHEMBL15075517 0.85 CA12 (0.49) CA12CA1CA2CA4CA9
SCHEMBL4400850 0.84 POLB (0.49) CA12CA1CA2CA4CA9
SCHEMBL13643884 0.84 OPRK1 (0.41) CA12CA1CA2CA4CA9
SCHEMBL16328763 0.83 MGLL (0.45) CA12CA1CA2CA4CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722622-B2 FGF21 conjugates and anti-diabetic uses thereof COVX TECHNOLOGIES IRELAND, LIMITED (IE) 2014-05-13 US disclosed
US-20120282279-A1 Anti-Diabetic Compounds COVX TECHNOLOGIES IRELAND LIMITED (IE) 2012-11-08 US disclosed
US-20120148586-A1 GLUCAGON-LIKE PROTEIN-1 RECEPTOR (GLP-1R) AGONISTS FOR TREATING AUTOIMMUNE DISORDERS CHOU JOYCE CHING TSU (US) 2012-06-14 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 (2 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-20120148586-A1 GLUCAGON-LIKE PROTEIN-1 RECEPTOR (GLP-1R) AGONISTS FOR TREATING AUTOIMMUNE DISORDERS GLP1R, GCGR, GIPR CA12 4142/4885CA1 3682/4885CA2 4125/4885
US-20120282279-A1 Anti-Diabetic Compounds GLP1R, FGF2, FGFR1 CA12 1471/4885CA1 3262/4885CA2 2818/4885

“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.