SCHEMBL21156445

SCHEMBL21156445

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CA1 P00915 8/20 0.40
CA2 P00918 8/20 0.40
CA9 Q16790 8/20 0.40
CA12 O43570 6/20 0.40
CA7 P43166 5/20 0.40
NR1H4 Q96RI1 1/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
PTGS2 P35354 2/20 0.38
AAK1 Q2M2I8 2/20 0.37
CA4 P22748 2/20 0.37
CYP3A4 P08684 1/20 0.37
DRD1 P21728 1/20 0.37
TRIM24 O15164 1/20 0.36

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) LMNACA1CA2CA9CA12
SCHEMBL5041575 0.84 LMNA (0.48) LMNACA1CA2CA9CA12
SCHEMBL19683166 0.84 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL21157746 0.83 CA1 (0.49) LMNACA1CA2CA9CA12
SCHEMBL13527224 0.83 CA1 (0.41) LMNACA1CA2CA9CA12
SCHEMBL9969521 0.81 CYP2D6 (0.39) CA1CA2CA9CA12CA7
SCHEMBL13526959 0.81 CYP2D6 (0.39) CA1CA2CA9CA12CA7
SCHEMBL16788802 0.81 CYP2D6 (0.39) CA1CA2CA9CA12CA7
SCHEMBL29813063 0.78 LMNA (0.56) LMNACA1CA2CA9CA12
SCHEMBL25901847 0.78 CA1 (0.42) CA1CA2CA9CA12CA7

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 LMNA 2857/4885CA1 3502/4885CA2 3747/4885

“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.