SCHEMBL7685089

SCHEMBL7685089

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HCAR3 P49019 1/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
DTYMK P23919 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL7689464 0.87 TSHR (0.42) PKMALDH1A1MAPTNPSR1HCAR3
SCHEMBL7689758 0.85 PKM (0.53) PKMMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1371283 0.83 MAPT (0.57) SMN1; SMN2ALDH1A1MAPTNPSR1HCAR3
Hydrochloric Acid SCHEMBL1890620 0.82 MAPT (0.56) SMN1; SMN2ALDH1A1MAPTNPSR1HCAR3
SCHEMBL18687304 0.78 ALDH1A1 (0.46) PKMMEN1KMT2ASMN1; SMN2ALDH1A1
Hydrogen Peroxide SCHEMBL28991385 0.77 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL1202449 0.77 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL27785428 0.76 HCAR3 (0.44) ALDH1A1MAPTNPSR1HCAR3TSHR
SCHEMBL28435633 0.76 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTNPSR1
Hydrochloric Acid SCHEMBL9617579 0.76 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTNPSR1

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
EP-0674629-B1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE (GB) 1998-07-08 EP disclosed
CN-1037437-C New herbicides RHONE POULENC AGRICULTURE 1998-02-18 CN 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 PKM 2666/4885MEN1 4809/4885KMT2A 3499/4885

“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.