SCHEMBL7607286

SCHEMBL7607286

COc1ccc(C(C[N+](=O)[O-])SCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINH1 P50454 1/20 0.56
ALDH1A1 P00352 8/20 0.46
MAPT P10636 7/20 0.46
GAA P10253 5/20 0.46
LMNA P02545 3/20 0.46
HSP90AA1 P07900 3/20 0.43
HPGD P15428 2/20 0.43
NTSR1 P30989 1/20 0.43
CNR1 P21554 1/20 0.42
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 5/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
CASP3 P42574 1/20 0.41
BLM P54132 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7255203 0.86 SERPINH1 (0.53) SERPINH1ALDH1A1MAPTGAALMNA
SCHEMBL7613293 0.85 CNR1 (0.47) SERPINH1ALDH1A1GAALMNACNR1
SCHEMBL7607272 0.85 MAPT (0.62) SERPINH1ALDH1A1MAPTGAALMNA
SCHEMBL7607388 0.85 MAPT (0.49) SERPINH1ALDH1A1MAPTGAALMNA
SCHEMBL7254769 0.84 SERPINH1 (0.51) SERPINH1ALDH1A1MAPTGAALMNA
SCHEMBL7606395 0.83 MAPT (0.52) SERPINH1ALDH1A1MAPTGAALMNA
SCHEMBL7606379 0.82 SERPINH1 (0.53) SERPINH1ALDH1A1MAPTGAALMNA
SCHEMBL7614254 0.82 PDPK1 (0.53) SERPINH1ALDH1A1MAPTGAALMNA
SCHEMBL7254885 0.81 SERPINH1 (0.59) SERPINH1ALDH1A1MAPTGAALMNA
SCHEMBL7255854 0.80 SERPINH1 (0.55) SERPINH1ALDH1A1MAPTGAALMNA

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 SERPINH1 2806/4885ALDH1A1 235/4885MAPT 4666/4885

“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.