SCHEMBL6833370

SCHEMBL6833370

CON(c1ccc([N+](=O)[O-])cc1C#N)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 7/20 0.48
VCAM1 P19320 4/20 0.46
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCR2 P41597 1/20 0.37
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
HSD11B1 P28845 2/20 0.35
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 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
SCHEMBL6832013 0.86 POLB (0.40) PLA2G7VCAM1POLBL3MBTL1CCR2
SCHEMBL6831225 0.85 VCAM1 (0.40) PLA2G7VCAM1ALDH1A1HSD11B1
SCHEMBL6553538 0.80 POLB (0.44) VCAM1POLBALDH1A1HSD17B10CYP3A4
SCHEMBL6831733 0.76 VCAM1 (0.44) VCAM1ALDH1A1CYP3A4
SCHEMBL6831203 0.74 HSD17B10 (0.53) VCAM1ALDH1A1HSD17B10HSD11B1CYP3A4
SCHEMBL6828533 0.74 HSP90AA1 (0.47) HSD11B1NPSR1
SCHEMBL6831747 0.73 VCAM1 (0.56) VCAM1ALDH1A1HSD17B10
Acetonitrile SCHEMBL28239983 0.72 VCAM1 (0.54) PLA2G7VCAM1POLBCCR2ALDH1A1
SCHEMBL6831311 0.71 KMT2A (0.48) POLBALDH1A1
SCHEMBL6554818 0.71 ALDH1A1 (0.46) VCAM1L3MBTL1ALDH1A1CYP3A4

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 PLA2G7 3348/4885VCAM1 429/4885POLB 3871/4885

“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.