SCHEMBL6833252

SCHEMBL6833252

COc1nsc(S(C)(=O)=O)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PAX8 Q06710 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
GALK1 P51570 1/20 0.30
SQOR Q9Y6N5 1/20 0.30
MAPK8 P45983 2/20 0.30
MAPK9 P45984 2/20 0.30
DYRK3 O43781 1/20 0.30
PRKD3 O94806 1/20 0.30

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
SCHEMBL9412179 0.83 POLB (0.34) RECQLALDH1A1NPSR1MAPTMAPK1
SCHEMBL8996614 0.81
SCHEMBL8945779 0.79 CDK1 (0.32) KMT2AALDH1A1GAAHPGDMAPT
SCHEMBL8945455 0.77
SCHEMBL8945820 0.77 HTT (0.39) RECQLKMT2AKDM4EALDH1A1HPGD
SCHEMBL8996536 0.76 KDM4E (0.48) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL5941009 0.75 GRIA2 (0.33) KMT2AKDM4EALDH1A1HPGDMAPT
SCHEMBL11563965 0.74 ALDH1A1 (0.50) KMT2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL5150632 0.72 RECQL (0.38) RECQLKDM4EALDH1A1HPGDNPSR1
SCHEMBL11563951 0.72 RECQL (0.46) RECQLKMT2AKDM4EALDH1A1HPGD

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 10 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
US-5578622-A FUNGICIDE OR BACTERICIDE FOR USE IN INDUSTRY, AGRICULTURE AND MEDICINE ASAMURA PATENT OFFICE (JP) 1996-11-26 US disclosed
EP-0697409-A1 Isothiazole derivatives containing (an) iodoalkylnyl group(s), their preparation and their use as fungicide and/or bactericide NIHON NOHYAKU CO., LTD. (JP) 1996-02-21 EP disclosed
US-5484934-A FUNGICIDE, WOOD PRESERVATIVE NIHON NOHYAKU CO., LTD. (JP) 1996-01-16 US disclosed
EP-0604978-A1 Isothiazole derivatives, a process for production thereof and uses thereof NIHON NOHYAKU CO., LTD. (JP) 1994-07-06 EP disclosed
US-4167575-A BIOCIDES ROHM AND HAAS COMPANY (US) 1979-09-11 US disclosed
US-4053479-A BIOCIDES ROHM AND HAAS COMPANY (US) 1977-10-11 US disclosed
US-3957808-A BIOCIDES ROHM AND HAAS COMPANY (US) 1976-05-18 US 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 RECQL 4179/4885KMT2A 563/4885KDM4E 1529/4885

“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.