SCHEMBL5468043

SCHEMBL5468043

Cc1ccc2[nH]c3c(c2c1)CCCC3NS(=O)(=O)c1ccccc1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
CASP6 P55212 1/20 0.52
RB1 P06400 5/20 0.50
PRMT5 O14744 2/20 0.48
SIRT1 Q96EB6 3/20 0.47
RECQL P46063 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
CYP2D6 P10635 2/20 0.43
BRD3 Q15059 1/20 0.42
KCNH2 Q12809 1/20 0.42
CDKN1A P38936 1/20 0.42
MAPT P10636 2/20 0.41
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
CDC42 P60953 1/20 0.41
MAPK1 P28482 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL5447185 0.86 RB1 (0.57) GAACASP6RB1PRMT5SIRT1
SCHEMBL5449898 0.83 RB1 (0.56) GAACASP6RB1PRMT5SIRT1
SCHEMBL5451530 0.83 RB1 (0.51) GAACASP6RB1PRMT5SIRT1
SCHEMBL5445854 0.81 RB1 (0.63) GAACASP6RB1PRMT5SIRT1
SCHEMBL5438530 0.79 GAA (0.54) GAACASP6PRMT5SIRT1RECQL
SCHEMBL5458951 0.78 RB1 (0.59) GAACASP6RB1PRMT5SIRT1
SCHEMBL5455553 0.78 RB1 (0.59) GAACASP6RB1PRMT5SIRT1
SCHEMBL5455558 0.78 RB1 (0.53) GAACASP6RB1PRMT5SIRT1
SCHEMBL5461124 0.76 GAA (0.60) GAACASP6RB1PRMT5SIRT1
SCHEMBL4023478 0.74 CYP2D6 (0.60) RB1CYP2D6BRD3KCNH2MAPT

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-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 GAA 1417/4885CASP6 3264/4885RB1 1821/4885

“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.