SCHEMBL13550876

SCHEMBL13550876

COC(=O)c1ccc2c(c1)-c1cc(C(=O)OC)ccc1C2O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
XDH P47989 2/20 0.52
CASP3 P42574 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
ATM Q13315 2/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
PDK2 Q15119 1/20 0.47

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
SCHEMBL26120364 0.92 HTR2B (0.56) CA1CA2CA12CA7CA9
SCHEMBL13550873 0.84 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL12052829 0.82 LOXL2 (0.42) CA1CA2CA12CA7CA9
SCHEMBL13550866 0.81 TRPA1 (0.51) CA1CA2CA12CA7CA9
SCHEMBL13548830 0.81 CHRNB2 (0.50) CA1CA2CA12CA7CA9
SCHEMBL13550875 0.80 CA1 (0.46) CA1CA2CA12CA7CA9
SCHEMBL26120994 0.78 PDK2 (0.48) CA1CA2CA12CA7CA9
SCHEMBL30571876 0.78 PDK2 (0.48) CA1CA2CA12CA7CA9
SCHEMBL69304 0.78 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL68289 0.78 CA1 (0.61) CA1CA2CA12CA7CA9

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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 CA1 3219/4885CA2 1107/4885CA12 2671/4885

“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.