SCHEMBL4282929

SCHEMBL4282929

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
CA4 P22748 3/20 0.43
CA7 P43166 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
TAS2R14 Q9NYV8 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CXCR3 P49682 1/20 0.35
CNR2 P34972 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PYCR1 P32322 1/20 0.34

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
SCHEMBL13913086 0.83 CA1 (0.47) GLACA1CA2CA12CA9
SCHEMBL1082207 0.79 GLA (0.69) GLACA12CA9SMN1; SMN2LMNA
SCHEMBL21753821 0.74 GLA (0.54) GLAHTTCNR2PYCR1
SCHEMBL3407737 0.72 ALDH1A1 (0.53) CA1CA2CA12CA9CA4
SCHEMBL13913087 0.70 CA12 (0.48) GLACA1CA2CA12CA9
SCHEMBL6776106 0.70 GLA (0.56) GLASMN1; SMN2HTTTAS2R14MEN1
SCHEMBL30212484 0.70 MEN1 (0.42) GLASMN1; SMN2LMNAHTTMEN1
SCHEMBL21646275 0.69 SMN1; SMN2 (0.50) CA1CA2CA12CA9CA4
SCHEMBL30212577 0.69 ESR1 (0.44) GLASMN1; SMN2LMNAHTTMEN1
SCHEMBL3539406 0.68 CYP3A4 (0.52) CA1CA2CA12CA9CA4

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 6 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
US-20090069561-A1 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 US disclosed
EP-1765910-A2 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS The Scripps Research Institute (US) 2007-03-28 EP disclosed
WO-2006005046-A9 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS SCRIPPS RESEARCH INST (US) 2006-03-09 WO disclosed
WO-2006005046-A2 CLICK CHEMISTRY ROUTE TO TRIAZOLE DENDRIMERS THE SCRIPPS RESEARCH INSTITUTE (US) 2006-01-12 WO 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 GLA 4386/4885CA1 3864/4885CA2 4452/4885

“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.