SCHEMBL13780757

SCHEMBL13780757

CC(C)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 7/20 0.67
CA1 P00915 6/20 0.67
CA2 P00918 3/20 0.67
CA4 P22748 2/20 0.67
NPSR1 Q6W5P4 2/20 0.64
CA12 O43570 5/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
GFER P55789 1/20 0.61
SCN2A Q99250 1/20 0.56
POLB P06746 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
CSNK2A2 P19784 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
CSNK2A3 Q8NEV1 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HPGD P15428 1/20 0.52

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
SCHEMBL9339007 0.88 CA9 (0.77) CA9CA1CA2CA4NPSR1
SCHEMBL4234750 0.86 CA9 (0.77) CA9CA1CA2CA4NPSR1
SCHEMBL5010584 0.85 CA9 (0.85) CA9CA1CA2CA4NPSR1
SCHEMBL4725618 0.84 CA9 (0.69) CA9CA1CA2CA4NPSR1
SCHEMBL9742475 0.83 CA9 (0.71) CA9CA1CA2CA4NPSR1
SCHEMBL8066756 0.82 ESR1 (0.70) CA9CA1CA2CA4NPSR1
SCHEMBL1618163 0.82 KMT2A (0.76) CA9CA1CA2CA4NPSR1
Acetic Acid SCHEMBL9502886 0.81 CA9 (0.72) CA9CA1CA2CA4NPSR1
SCHEMBL19389722 0.81 ALDH1A1 (0.46) CA9CA1CA2CA4NPSR1
SCHEMBL5012322 0.81 CA9 (0.68) CA9CA1CA2CA4NPSR1

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-20090175805-A1 Neuraminidase Inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-07-09 US disclosed
US-20090175805-A1 Neuraminidase Inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-07-09 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-20090175805-A1 Neuraminidase Inhibitors and uses thereof ENGASE, NEU1, NEU2 CA9 324/4885CA1 2462/4885CA2 1289/4885

“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.