SCHEMBL7556986

SCHEMBL7556986

CC(C)CN(c1cc(Cl)ccc1C(=O)CC(=O)C1CC1)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.42
MCOLN3 Q8TDD5 2/20 0.42
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
TP53 P04637 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MCL1 Q07820 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL7552723 0.88 GAA (0.45) GAATSHRPOLBMCOLN3PSEN1
SCHEMBL7553850 0.86 GAA (0.43) GAATSHRPOLBMCOLN3PSEN1
SCHEMBL7579505 0.83 TYK2 (0.42) GAATSHRPOLBMCOLN3TP53
SCHEMBL7553332 0.80 HTT (0.47) TSHRPOLBMCOLN3PSEN1PSEN2
SCHEMBL7556703 0.79 MCOLN3 (0.60) GAATSHRPOLBMCOLN3PSEN1
SCHEMBL7557990 0.78 TSHR (0.39) GAATSHRPOLBMCOLN3PSEN1
SCHEMBL7557997 0.78 TSHR (0.39) GAATSHRPOLBMCOLN3PSEN1
SCHEMBL8492085 0.78 F10 (0.41) GAAALDH1A1
SCHEMBL7691221 0.77 SLC6A9 (0.37) GAATSHRPOLBMCOLN3ALDH1A1
SCHEMBL8754734 0.75 GAA (0.38) GAATSHRPOLBMCOLN3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734380-B1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD (GB) 2002-07-10 EP disclosed
US-20020045551-A1 4-benzoyl isoxazoles derivatives and their use as herbicides MUSIL TIBOR (GB) 2002-04-18 US disclosed
US-6369270-B1 CHEMICAL INTERMEDIATES RHONE POULENC AGRICULTURE LIMITED (GB) 2002-04-09 US disclosed
US-6323155-B1 EXCELLENT LEVEL OF HERBICIDAL ACTIVITY TOGETHER WITH CROP TOLERANCE RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-11-27 US disclosed
US-5998653-A CHEMICAL INTERMEDIATE FOR HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1999-12-07 US disclosed
EP-0674629-B1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE (GB) 1998-07-08 EP disclosed
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US disclosed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 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-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO 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 GAA 3363/4885TSHR 174/4885POLB 2653/4885

“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.