SCHEMBL21157746

SCHEMBL21157746

CC(C)C[C@H](O)COc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.49
CA2 P00918 11/20 0.49
CA9 Q16790 11/20 0.49
CA12 O43570 4/20 0.49
ADRB2 P07550 3/20 0.49
ADRB1 P08588 3/20 0.49
CA4 P22748 7/20 0.49
CA7 P43166 7/20 0.49
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP2D6 P10635 1/20 0.44
GAA P10253 2/20 0.43
ABCB1 P08183 1/20 0.42

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
SCHEMBL16479569 0.84 CA1 (0.54) CA1CA2CA9CA12ADRB2
SCHEMBL19683419 0.84 CA1 (0.54) CA1CA2CA9CA12ADRB2
SCHEMBL29813063 0.83 LMNA (0.56) CA1CA2CA9CA12ADRB2
SCHEMBL5041575 0.83 LMNA (0.48) CA1CA2CA9CA12ADRB2
SCHEMBL16093348 0.83 CA1 (0.54) CA1CA2CA9CA12ADRB2
SCHEMBL19683202 0.83 CA1 (0.54) CA1CA2CA9CA12ADRB2
SCHEMBL21156445 0.83 LMNA (0.40) CA1CA2CA9CA12ADRB2
SCHEMBL11579471 0.81 PTGS1 (0.67) CA1CA2CA9CA12ADRB2
SCHEMBL9969518 0.80 CA1 (0.50) CA1CA2CA9CA12ADRB2
SCHEMBL13526942 0.80 CA1 (0.50) CA1CA2CA9CA12ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 CA1 3502/4885CA2 3747/4885CA9 3961/4885

“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.