SCHEMBL4889389

SCHEMBL4889389

CN(C)c1cccc2cccc(S(=O)(=O)O)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ TTR P02766 2/20 0.47
▸ FABP4 P15090 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ NR4A1 P22736 1/20 0.46
▸ F2 P00734 3/20 0.45
▸ PRSS1 P07477 3/20 0.45
▸ PRSS2 P07478 3/20 0.45
▸ PRSS3 P35030 3/20 0.45
▸ CA2 P00918 2/20 0.45
▸ HTR6 P50406 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL14845761 0.84 GAA (0.61) GAAKDM4EMAPTF2PRSS1
SCHEMBL8149846 0.84 CA2 (0.64) GAAKDM4EMAPTCDK2F2
SCHEMBL14266725 0.82 TTR (0.49) GAAKDM4EMAPTTTRFABP4
SCHEMBL17322787 0.82 GAA (0.59) GAAKDM4EMAPTF2PRSS1
SCHEMBL9676821 0.82 GAA (0.59) GAAKDM4EMAPTF2PRSS1
SCHEMBL30116330 0.82 GAA (0.59) GAAKDM4EMAPTF2PRSS1
SCHEMBL11517888 0.81 TTR (0.44) GAAKDM4EMAPTTTRFABP4
SCHEMBL15631840 0.81 GAA (0.57) GAAKDM4EMAPTF2PRSS1
SCHEMBL10048751 0.81 GAA (0.57) GAAKDM4EMAPTF2PRSS1
SCHEMBL1742117 0.80 TTR (0.59) MAPTTTRFABP4CCNA2CDK2

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-20080299674-A1 Novel Isonitrile Compound, Its Method Of Manufacture, A Marine Fouling Organism Larva Fluorescent, And A Method Of Detecting This Marine Fouling Organism Larva Using Said Marker CENTRAL RESEARCH INSTITUTE OF ELECTRIC POWER INDUSTRY (JP) 2008-12-04 — — US disclosed
EP-1783177-A1 NOVEL ISONITRILE COMPOUND, PROCESS FOR PRODUCING THE SAME, FLUORESCENCE LABELING AGENT FOR MARINE ATTACHED ORGANISM LARVA CONTAINING THE COMPOUND, AND METHOD OF DETECTING MARINE ATTACHED ORGANISM LARVA THEREWITH National University Corporation Tokyo University of Agriculture and Technology (JP) 2007-05-09 — — EP 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-20080299674-A1 Novel Isonitrile Compound, Its Method Of Manufacture, A Marine Fouling Organism Larva Fluorescent, And A Method Of Detecting This Marine Fouling Organism Larva Using Said Marker PFAS, FUCA1, FLNB GAA 1002/4885KDM4E 4252/4885MAPT 3097/4885

“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.

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