SCHEMBL7688657

SCHEMBL7688657

CN(c1ccc(C(=O)c2cnoc2C2CC2)c(Br)c1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.33
DHODH Q02127 3/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CYP3A4 P08684 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL7687678 0.87 PTGDR2 (0.35) PDE2ADHODHNPC1RAB9ACYP3A4
SCHEMBL7683075 0.87 USP30 (0.36) PDE2ADHODHNPC1RAB9ACYP3A4
SCHEMBL7685419 0.83 PKM (0.39) PDE2ADHODHALDH1A1SMN1; SMN2NPSR1
SCHEMBL7555068 0.83 L3MBTL1 (0.34) PDE2ADHODHL3MBTL1MAPTKMT2A
SCHEMBL8489232 0.82 DHODH (0.35) PDE2ADHODHNPC1RAB9AMEN1
SCHEMBL9116234 0.81 STAT1 (0.32) DHODH
SCHEMBL7555057 0.79 TYK2 (0.36) PDE2ADHODHPIK3C3ALDH1A1NPSR1
SCHEMBL7576057 0.79 PTPN1 (0.34) PDE2ADHODH
SCHEMBL7687350 0.79 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2NPSR1L3MBTL1MEN1
SCHEMBL7559185 0.78 TYK2 (0.36) DHODHNPC1RAB9AL3MBTL1MEN1

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-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-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-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 PDE2A 3737/4885DHODH 3856/4885NPC1 2974/4885

“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.