SCHEMBL6828482

SCHEMBL6828482

CONS(=O)(=O)c1c(C)nn(C)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.48
MCL1 Q07820 1/20 0.46
HTR6 P50406 1/20 0.41
FPR2 P25090 4/20 0.40
PROKR1 Q8TCW9 4/20 0.40
NMT1 P30419 2/20 0.39
CCR2 P41597 1/20 0.39
SGK1 O00141 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL15882311 0.79 ACLY (0.50) ACLYMCL1HTR6FPR2PROKR1
SCHEMBL8199305 0.77 ACLY (0.42) ACLYMCL1HTR6FPR2PROKR1
SCHEMBL3956139 0.77 ACLY (0.51) ACLYMCL1HTR6FPR2PROKR1
SCHEMBL12932804 0.77 MCL1 (0.49) ACLYMCL1HTR6FPR2PROKR1
SCHEMBL16508903 0.75 HTR6 (0.46) ACLYMCL1HTR6FPR2PROKR1
SCHEMBL6097407 0.75 MCL1 (0.45) ACLYMCL1HTR6FPR2PROKR1
SCHEMBL1641772 0.74 L3MBTL1 (0.43) ACLYMCL1HTR6FPR2PROKR1
SCHEMBL388129 0.74 L3MBTL1 (0.43) ACLYMCL1HTR6FPR2PROKR1
SCHEMBL12878854 0.74 MCL1 (0.43) ACLYMCL1HTR6FPR2PROKR1
SCHEMBL12067166 0.73 HTR6 (0.44) ACLYMCL1HTR6FPR2PROKR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023938-A1 Sulfonamide derivatives TABUCHI TAKANORI (JP) 2004-02-05 US disclosed
US-6586617-B1 Nontoxic microbiocides such as 4'-chloro-N-ethyl-2'-nitro-p-toluenesulfonanilide, for agricultural or horticultural, prepared by alkylation or nitration SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2003-07-01 US disclosed
EP-1174028-A1 SULFONAMIDE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-01-23 EP 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-20040023938-A1 Sulfonamide derivatives FPR1, MRM1, SULT1E1 ACLY 842/4885MCL1 872/4885HTR6 2343/4885

“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.