SCHEMBL7690635

SCHEMBL7690635

CN(c1ccc(C(=O)CC(=O)C2CC2)c(Br)c1)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7872381 0.85 NPC1 (0.40) CYP3A4AAK1NPC1RAB9ASMN1; SMN2
SCHEMBL7550765 0.81 L3MBTL1 (0.36) CYP3A4AAK1L3MBTL1MAPTKMT2A
SCHEMBL7552268 0.78 TYK2 (0.43) CYP3A4AAK1NPC1RAB9AL3MBTL1
SCHEMBL7689754 0.77 L3MBTL1 (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL7556685 0.77 L3MBTL1 (0.36) CYP3A4AAK1L3MBTL1MAPTMEN1
SCHEMBL7579505 0.77 TYK2 (0.42) RAB9AL3MBTL1LMNAMAPTMEN1
SCHEMBL7556623 0.76 KMT2A (0.35) CYP3A4NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7684739 0.76 KMT2A (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL8754760 0.76 HSD17B10 (0.35) L3MBTL1LMNAMAPTMEN1KMT2A
SCHEMBL7554528 0.74 FLT1 (0.43) NPC1RAB9ASMN1; SMN2LMNAMAPT

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 5 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-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 CYP3A4 129/4885AAK1 4753/4885NPC1 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.