SCHEMBL7690642

SCHEMBL7690642

CN(c1cc(S(C)(=O)=O)ccc1C(=O)c1cnoc1C1CC1)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
DHODH Q02127 3/20 0.33
SYK P43405 2/20 0.31
KIF18A Q8NI77 1/20 0.31
PDE2A O00408 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
KDM2B Q8NHM5 1/20 0.30

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
SCHEMBL7555057 0.88 TYK2 (0.36) L3MBTL1DHODHPDE2AKMT2AALDH1A1
SCHEMBL7555068 0.87 L3MBTL1 (0.34) L3MBTL1DHODHPDE2AKMT2ATSHR
SCHEMBL7553192 0.87 L3MBTL1 (0.34) L3MBTL1DHODHPDE2AKMT2ATSHR
SCHEMBL7685363 0.87 DHODH (0.35) L3MBTL1DHODHPDE2AKMT2A
SCHEMBL7559185 0.87 TYK2 (0.36) L3MBTL1DHODHKMT2ANPC1TSHR
SCHEMBL7555638 0.86 HRH4 (0.35) DHODHHRH4KMT2A
SCHEMBL7692163 0.85 CYP19A1 (0.44) L3MBTL1ALDH1A1
SCHEMBL7687350 0.85 L3MBTL1 (0.47) L3MBTL1KMT2AALDH1A1TSHRMAPT
SCHEMBL7552737 0.85 DHODH (0.45) L3MBTL1DHODHKMT2ANPC1MAPT
SCHEMBL8683983 0.83 DHODH (0.36) DHODHKIF18APDE2AKMT2ANPC1

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 claimed
US-6323155-B1 EXCELLENT LEVEL OF HERBICIDAL ACTIVITY TOGETHER WITH CROP TOLERANCE RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-11-27 US claimed
EP-0674629-B1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE (GB) 1998-07-08 EP claimed
EP-0674629-A1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-10-04 EP claimed
WO-1994014782-A1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1994-07-07 WO claimed
US-6323155-B1 EXCELLENT LEVEL OF HERBICIDAL ACTIVITY TOGETHER WITH CROP TOLERANCE RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-11-27 US disclosed
EP-0674629-B1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE (GB) 1998-07-08 EP disclosed
EP-0674629-A1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-10-04 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 L3MBTL1 2099/4885DHODH 3856/4885SYK 3777/4885

“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.