SCHEMBL3400951

SCHEMBL3400951

NNS(=O)(=O)c1nncs1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
AKT1 P31749 9/20 0.41
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.33
FBP1 P09467 1/20 0.32
PDPK1 O15530 1/20 0.31
ABCB11 O95342 1/20 0.31
AKT2 P31751 1/20 0.31
GAB1 Q13480 1/20 0.31
AKT3 Q9Y243 1/20 0.31

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
SCHEMBL2399941 0.76
SCHEMBL5097249 0.74 CA2 (0.48) CA1CA2CA4CA5ACA5B
SCHEMBL2323882 0.71
SCHEMBL3337911 0.69 CA1 (0.34) CA1CA2CA4CA5ACA5B
SCHEMBL3467597 0.66 FGFR3 (0.39) CA1CA2AKT1MEN1KMT2A
SCHEMBL4413992 0.66 CA1 (0.41) CA1CA2TSHR
SCHEMBL7103345 0.61
SCHEMBL2915082 0.58 CA1 (0.66) CA1CA2CA4CA5ACA5B
SCHEMBL2585574 0.57 CA2 (0.44) CA1CA2CA4CA5ACA5B
SCHEMBL84691 0.56

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-8518979-B2 Alpha-halo- and alpha-alkyl-cyclopropylcarboxy compounds and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2013-08-27 US disclosed
US-20100152254-A1 ALPHA-HALO- AND ALPHA-ALKYL-CYCLOPROPYLCARBOXY COMPOUNDS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2010-06-17 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-20100152254-A1 ALPHA-HALO- AND ALPHA-ALKYL-CYCLOPROPYLCARBOXY COMPOUNDS AND USES THEREOF INA, GBA1, SCN1A CA1 131/4885CA2 514/4885CA4 609/4885

“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.