SCHEMBL13913086

SCHEMBL13913086

C#CCN(CC#C)S(=O)(=O)c1ccc(CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA12 O43570 3/20 0.47
CA4 P22748 3/20 0.47
CA9 Q16790 3/20 0.47
CA7 P43166 2/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TAS2R14 Q9NYV8 7/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PTGS2 P35354 1/20 0.36
HIF1A Q16665 1/20 0.35

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
SCHEMBL4282929 0.83 GLA (0.44) CA1CA2CA12CA4CA9
SCHEMBL1082207 0.79 GLA (0.69) CA12CA9GLASMN1; SMN2LMNA
SCHEMBL21445783 0.74 CA9 (0.63) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL13913087 0.73 CA12 (0.48) CA1CA2CA12CA9CA14
SCHEMBL2248882 0.72 CA1 (0.55) CA1CA2CA12CA4CA9
SCHEMBL30212484 0.70 MEN1 (0.42) GLASMN1; SMN2LMNAHTTMEN1
SCHEMBL4280108 0.70 KEAP1 (0.56) GLATAS2R14
SCHEMBL6776106 0.70 GLA (0.56) GLASMN1; SMN2HTTTAS2R14MEN1
SCHEMBL21595413 0.69 GLA (0.51) CA1CA2CA12CA9GLA
SCHEMBL30212577 0.69 ESR1 (0.44) GLASMN1; SMN2LMNAHTTMEN1

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-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 US disclosed
US-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 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-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS CROCC, JAK3, APOBEC3A CA1 3864/4885CA2 4452/4885CA12 3696/4885

“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.