SCHEMBL6832016

SCHEMBL6832016

Cc1ccc(S(=O)(=O)N(OC(C)C)c2ccc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.44
CYP19A1 P11511 2/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 2/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
VCAM1 P19320 1/20 0.39
ACHE P22303 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL6833243 0.84 CYP19A1 (0.43) CA9CYP19A1ALDH1A1LMNATDP1
SCHEMBL6831764 0.83 CA9 (0.47) CA9CYP19A1ALDH1A1LMNATDP1
SCHEMBL6828341 0.77 PSEN1 (0.52) CA9CYP19A1ALDH1A1LMNATDP1
SCHEMBL6831203 0.75 HSD17B10 (0.53) ALDH1A1MAPTHTTHSD17B10VCAM1
SCHEMBL6831311 0.74 KMT2A (0.48) ALDH1A1LMNATDP1POLBMAPT
SCHEMBL6553122 0.73 POLB (0.56) CA9CYP19A1ALDH1A1POLBMCOLN3
SCHEMBL6831747 0.73 VCAM1 (0.56) ALDH1A1HTTHSD17B10VCAM1
SCHEMBL6553197 0.72 POLB (0.51) CA9CYP19A1ALDH1A1POLBMCOLN3
SCHEMBL6553538 0.70 POLB (0.44) CA9CYP19A1ALDH1A1LMNAPOLB
SCHEMBL3378430 0.70 MCOLN3 (0.57) CA9CYP19A1ALDH1A1LMNATDP1

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 CA9 1535/4885CYP19A1 939/4885ALDH1A1 453/4885

“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.