SCHEMBL6831205

SCHEMBL6831205

CON(c1ccc(SC)cc1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.36
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 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
SCHEMBL6553122 0.84 POLB (0.56) POLBMCOLN3ALDH1A1KDM4EHTT
SCHEMBL6831347 0.82 POLB (0.48) POLBMCOLN3ALDH1A1KDM4EHTT
SCHEMBL6833212 0.81 ALDH1A1 (0.48) POLBMCOLN3ALDH1A1KDM4EHTT
SCHEMBL6833194 0.79 KMT2A (0.39) POLBMCOLN3ALDH1A1KDM4EKMT2A
SCHEMBL6553699 0.73 POLB (0.46) POLBMCOLN3ALDH1A1KDM4EHTT
SCHEMBL6553538 0.71 POLB (0.44) POLBMCOLN3ALDH1A1KMT2AMAPT
SCHEMBL6832023 0.70 MAPT (0.61) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL6832001 0.70 POLB (0.79) POLBMCOLN3ALDH1A1KDM4EHTT
SCHEMBL6831728 0.68 POLB (0.74) POLBMCOLN3ALDH1A1KDM4EHTT
SCHEMBL6554657 0.68 ALDH1A1 (0.43) POLBMCOLN3ALDH1A1KDM4EHTT

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 POLB 3871/4885MCOLN3 3672/4885ALDH1A1 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.