SCHEMBL7689464

SCHEMBL7689464

CS(=O)(=O)N(c1ccc(C(=O)O)c([N+](=O)[O-])c1)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DTYMK P23919 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
HCAR3 P49019 1/20 0.39
PTGS2 P35354 1/20 0.39
RXRA P19793 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
CASP6 P55212 1/20 0.38
PKM P14618 1/20 0.38
CES2 O00748 1/20 0.38
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL7685089 0.87 PKM (0.50) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL1371283 0.81 MAPT (0.57) TSHRALDH1A1DTYMKMAPTNPSR1
Hydrochloric Acid SCHEMBL1890620 0.80 MAPT (0.56) TSHRALDH1A1DTYMKMAPTNPSR1
SCHEMBL1202449 0.78 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL6402838 0.78 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4MAPTKDM4E
Hydrogen Peroxide SCHEMBL28991385 0.78 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL28435633 0.77 ALDH1A1 (0.55) TSHRALDH1A1CYP3A4ALOX15TDP1
Hydrochloric Acid SCHEMBL9617579 0.77 ALDH1A1 (0.55) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL9752018 0.76 HTT (0.44) TSHRALDH1A1DTYMKPOLBHCAR3
SCHEMBL7685288 0.75 TSHR (0.51) TSHRALDH1A1CYP3A4ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020045551-A1 4-benzoyl isoxazoles derivatives and their use as herbicides MUSIL TIBOR (GB) 2002-04-18 US disclosed
US-6323155-B1 EXCELLENT LEVEL OF HERBICIDAL ACTIVITY TOGETHER WITH CROP TOLERANCE RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-11-27 US disclosed
EP-0811611-B1 2-cyano-1-sulfonamidophenyl-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 2000-01-26 EP disclosed
US-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed
EP-0674629-B1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE (GB) 1998-07-08 EP disclosed
EP-0811611-A1 2-cyano-1-sulfonamidophenyl-1,3-dione derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1997-12-10 EP disclosed
EP-0674629-A1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-10-04 EP disclosed
EP-0625505-A2 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed
WO-1994014782-A1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1994-07-07 WO 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-20020045551-A1 4-benzoyl isoxazoles derivatives and their use as herbicides CBR3, CBR1, GLRA3 TSHR 174/4885ALDH1A1 2037/4885CYP3A4 129/4885

“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.