SCHEMBL7613293

SCHEMBL7613293

COc1cccc(C(C[N+](=O)[O-])SCC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CYP1A2 P05177 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
BLM P54132 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
LMNA P02545 1/20 0.42
SERPINH1 P50454 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 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
SCHEMBL7607286 0.85 SERPINH1 (0.56) CNR1KMT2AGAABLML3MBTL1
SCHEMBL7702788 0.82 CNR1 (0.46) CNR1MEN1KMT2AGAABLM
SCHEMBL7606395 0.81 MAPT (0.52) MEN1KMT2AGAALMNASERPINH1
SCHEMBL3911117 0.81 MTNR1A (0.49) CYP1A2L3MBTL1MTNR1AMTNR1BLMNA
SCHEMBL7708507 0.80 CNR1 (0.47) CNR1MEN1KMT2AGAABLM
SCHEMBL8032242 0.79 CNR1 (0.49) CNR1MEN1KMT2AGAABLM
SCHEMBL8032126 0.79 CNR1 (0.49) CNR1MEN1KMT2AGAABLM
SCHEMBL8032125 0.79 CNR1 (0.49) CNR1MEN1KMT2AGAABLM
SCHEMBL27794445 0.76 L3MBTL1 (0.58) CNR1MEN1KMT2AGAABLM
SCHEMBL1444565 0.76 L3MBTL1 (0.58) CNR1MEN1KMT2AGAABLM

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 CNR1 448/4885CYP1A2 37/4885MEN1 3036/4885

“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.