SCHEMBL513778

SCHEMBL513778

CC(OC(N)=O)c1ccc(I)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
ALOX5 P09917 2/20 0.36
TPMT P51580 1/20 0.34
GSK3B P49841 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
SLC6A3 Q01959 1/20 0.33
EPHX1 P07099 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL13777893 0.82 ACACB (0.41) ACACBHCAR2TPMTGSK3BSLC6A3
SCHEMBL514412 0.82 HCAR2 (0.40) HCAR2ALOX5EPHX1CHRM2CHRM4
SCHEMBL22772305 0.82 ESR1 (0.46) HCAR2SLC6A3CA1CA2CHRM2
SCHEMBL11593521 0.82 HCAR2 (0.43) ACACBHCAR2TPMTGSK3BSLC6A3
SCHEMBL514895 0.82 ALOX5 (0.50) HCAR2ALOX5LMNA
SCHEMBL5823639 0.81 ALOX5 (0.51) HCAR2ALOX5EPHX1TSHR
SCHEMBL21612915 0.81 ALOX5 (0.51) HCAR2ALOX5EPHX1TSHR
SCHEMBL28649908 0.81 ALDH1A1 (0.41) HCAR2
SCHEMBL3789551 0.81 ADRB2 (0.47) HCAR2LMNACYP2C9TSHR
SCHEMBL29140774 0.81 ALOX5 (0.51) HCAR2ALOX5EPHX1TSHR

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
US-5552386-A COMPOUNDS FOR BACTERICIDES OR ANTIPROTOZOA AGENTS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5314875-A Method for treating swine dysentery with the derivatives of the antibiotic A82810 ELI LILLY AND COMPANY (US) 1994-05-24 US disclosed
EP-0341019-B1 POLYETHER ANTIBIOTIC ELI LILLY AND COMPANY (US) 1993-01-13 EP disclosed
EP-0184291-B1 POLYETHER ANTIBIOTIC A80190 ELI LILLY AND COMPANY (US) 1992-05-27 EP disclosed
US-5098834-A Polyether antibiotics as bactericides and anticoccidial agents ELI LILLY AND COMPANY (US) 1992-03-24 US disclosed
EP-0341019-A2 Polyether antibiotic ELI LILLY AND COMPANY (US) 1989-11-08 EP disclosed
US-4683201-A Antibiotic A80190-producing Actinomadura oligospora and process ELI LILLY AND COMPANY (US) 1987-07-28 US disclosed
CN-85108210-A Preparation A80190 antibiotic method 1986-12-03 CN disclosed
EP-0184291-A2 Polyether antibiotic A80190 ELI LILLY AND COMPANY (US) 1986-06-11 EP disclosed
US-4582822-A ANIMAL FEED ADDITIVES ELI LILLY AND COMPANY (US) 1986-04-15 US disclosed
US-4294925-A FERMENTATION, AEROBIC PROCESSES HOFFMANN-LA ROCHE INC. (US) 1981-10-13 US disclosed
US-4263427-A REACTING HYDROXYL WITH ISOCYANATE TO OBTAIN ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1981-04-21 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 ACACB 4163/4885HCAR2 3005/4885ALOX5 3905/4885

“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.