SCHEMBL7607388

SCHEMBL7607388

CC(C)c1ccc(C(C[N+](=O)[O-])SCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HSP90AA1 P07900 1/20 0.44
AGTR1 P30556 1/20 0.44
ATM Q13315 1/20 0.44
SERPINH1 P50454 2/20 0.41
PDPK1 O15530 1/20 0.41
KDM4E B2RXH2 2/20 0.40
APOBEC3G Q9HC16 1/20 0.40
USP5 P45974 1/20 0.40
ACE P12821 4/20 0.38
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7614254 0.88 PDPK1 (0.53) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL7607272 0.88 MAPT (0.62) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL7606395 0.86 MAPT (0.52) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL7606379 0.85 SERPINH1 (0.53) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL7607286 0.85 SERPINH1 (0.56) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL7606367 0.75 ALDH1A1 (0.57) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL7613293 0.75 CNR1 (0.47) ALDH1A1LMNAGAATDP1SERPINH1
SCHEMBL7256110 0.74 NPSR1 (0.47) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL21631918 0.74 CNR1 (0.43) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL7254895 0.73 ALDH1A1 (0.50) MAPTALDH1A1LMNAGAAMAPK1

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 MAPT 4666/4885ALDH1A1 235/4885LMNA 4236/4885

“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.