SCHEMBL6828533

SCHEMBL6828533

CON(c1ccc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
CXCR5 P32302 1/20 0.47
APLNR P35414 1/20 0.47
CCR6 P51684 1/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
HSD11B1 P28845 2/20 0.43
KIF11 P52732 1/20 0.40
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 2/20 0.38
GPR17 Q13304 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL6831311 0.88 KMT2A (0.48) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6831203 0.82 HSD17B10 (0.53) HSD11B1CRHBPCRHR2MAPTNPSR1
SCHEMBL6831747 0.80 VCAM1 (0.56)
SCHEMBL6832013 0.77 POLB (0.40) HSD11B1NPSR1
SCHEMBL6554657 0.76 ALDH1A1 (0.43) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL6833370 0.74 PLA2G7 (0.48) HSD11B1NPSR1
SCHEMBL6831225 0.74 VCAM1 (0.40) MMP1HSD11B1KIF11MAPTLMNA
SCHEMBL6828507 0.73 NHERF1 (0.49) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6553699 0.73 POLB (0.46) HSP90AA1MAPTNPSR1LMNAMEN1
SCHEMBL7612721 0.73 CRHBP (0.70) HSP90AA1CXCR5APLNRCCR6MMP1

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 HSP90AA1 2006/4885CXCR5 920/4885APLNR 1881/4885

“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.