SCHEMBL7607397

SCHEMBL7607397

N[C@@H](CSC(C[N+](=O)[O-])c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CPA1 P15085 3/20 0.43
KIF11 P52732 8/20 0.41
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
NPC1 O15118 1/20 0.39
ADAM17 P78536 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
DNMT1 P26358 1/20 0.39

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
SCHEMBL7608097 1.00 KDM4E (0.51) KDM4EMAPTMAPK1NPSR1APOBEC3G
SCHEMBL7606395 0.79 MAPT (0.52) KDM4EMAPTMAPK1NPSR1APOBEC3G
SCHEMBL7254921 0.77 NPSR1 (0.50) KDM4EMAPTMAPK1NPSR1APOBEC3G
SCHEMBL7606406 0.76 MAPT (0.47) KDM4EMAPTMAPK1NPSR1APOBEC3G
SCHEMBL8064895 0.75 GRM8 (0.49) MAPTNPSR1
SCHEMBL1913648 0.75 KIF11 (0.50) KIF11GRM2GRM3ALPIPKM
SCHEMBL7317301 0.75 KIF11 (0.50) KIF11GRM2GRM3ALPIPKM
SCHEMBL4725978 0.74 MAPK1 (0.66) KDM4EMAPTMAPK1NPSR1APOBEC3G
SCHEMBL1036342 0.74 MAPK1 (0.66) KDM4EMAPTMAPK1NPSR1APOBEC3G
SCHEMBL10869934 0.74 NPSR1 (0.48) KDM4EMAPTMAPK1NPSR1APOBEC3G

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103256-A1 Pesticidal and parasiticidal use of 1-aryl-1-(substituted thio, sulfinyl and sulfonyl)-2-nitroethane compounds AMERICAN CYANAMID COMPANY 2002-08-01 US claimed
US-6358883-B1 FOR CONTROLLING NEMATODE, INSECT AND ACARID PESTS AMERICAN CYANAMID COMPANY 2002-03-19 US claimed
EP-1000934-A2 Pesticidal and parasiticidal use of 1-aryl-1-(substituted thio, sulfinyl and sulfonyl)-2-nitroethane compounds American Cyanamid Company (US) 2000-05-17 EP claimed
US-6482962-B2 CONTACTING HELMINTH, NEMATODE, INSECT OR ACARID PESTS OR PARASITES OR THEIR FOOD SUPPLY, HABITAT OR BREEDING GROUNDS WITH A NITROETHYL DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 2002-11-19 US disclosed
US-20020103256-A1 Pesticidal and parasiticidal use of 1-aryl-1-(substituted thio, sulfinyl and sulfonyl)-2-nitroethane compounds AMERICAN CYANAMID COMPANY 2002-08-01 US disclosed
US-6358883-B1 FOR CONTROLLING NEMATODE, INSECT AND ACARID PESTS AMERICAN CYANAMID COMPANY 2002-03-19 US disclosed
EP-1000934-A2 Pesticidal and parasiticidal use of 1-aryl-1-(substituted thio, sulfinyl and sulfonyl)-2-nitroethane compounds American Cyanamid Company (US) 2000-05-17 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-20020103256-A1 Pesticidal and parasiticidal use of 1-aryl-1-(substituted thio, sulfinyl and sulfonyl)-2-nitroethane compounds SULT1E1, SULT1A1, TST KDM4E 3215/4885MAPT 4666/4885MAPK1 2754/4885

“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.