SCHEMBL19683166

SCHEMBL19683166

CS(=O)(=O)c1ccc(OC[C@H](F)CN)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.43
CA2 P00918 12/20 0.43
CA9 Q16790 12/20 0.43
CA12 O43570 6/20 0.43
CA7 P43166 11/20 0.43
CA4 P22748 6/20 0.43
PTGS2 P35354 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
ENPP2 Q13822 1/20 0.40
F2 P00734 1/20 0.40
AOC2 O75106 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL15060893 0.85 CA1 (0.42) CA1CA2CA9CA12CA7
SCHEMBL16093348 0.84 CA1 (0.54) CA1CA2CA9CA12CA7
SCHEMBL19683202 0.84 CA1 (0.54) CA1CA2CA9CA12CA7
SCHEMBL21156445 0.84 LMNA (0.40) CA1CA2CA9CA12CA7
SCHEMBL13527224 0.83 CA1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL20082505 0.81 F2 (0.44) PTGS2LOXL2F2
SCHEMBL13526959 0.81 CYP2D6 (0.39) CA1CA2CA9CA12CA7
SCHEMBL16788802 0.81 CYP2D6 (0.39) CA1CA2CA9CA12CA7
SCHEMBL9969521 0.81 CYP2D6 (0.39) CA1CA2CA9CA12CA7
SCHEMBL17277443 0.79 PTGDR2 (0.41) PTGS2LOXL2F2

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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 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 (3 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-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 CA1 3502/4885CA2 3747/4885CA9 3961/4885
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 CA1 3502/4885CA2 3747/4885CA9 3961/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 CA1 1794/4885CA2 2606/4885CA9 2415/4885

“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.