SCHEMBL513187

SCHEMBL513187

[CH2]C(=O)c1ccc(I)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.59
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
GSK3B P49841 1/20 0.50
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
APP P05067 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
PHGDH O43175 1/20 0.36
PDPK1 O15530 1/20 0.36
CAPN1 P07384 1/20 0.35
CAPN2 P17655 1/20 0.35

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
SCHEMBL1490483 0.78 TPMT (0.59) TPMTCA1CA2GSK3BTSHR
SCHEMBL1244094 0.77 TPMT (0.65) TPMTCA1CA2GSK3B
SCHEMBL9389844 0.77 TPMT (0.65) TPMTCA1CA2GSK3B
SCHEMBL1994288 0.77 TPMT (0.65) TPMTCA1CA2GSK3BPTPN2
SCHEMBL1442016 0.77 MAPT (0.44) CA1CA2GSK3BPTPN1RXRA
SCHEMBL3760858 0.77 TPMT (0.65) TPMTCA1CA2GSK3BPHGDH
SCHEMBL3841301 0.77 TPMT (0.65) TPMTCA1CA2GSK3B
SCHEMBL10883592 0.75 MAPT (0.59) TPMTCA1CA2GSK3BPHGDH
SCHEMBL5842596 0.74 TSHR (0.71) TPMTCA1CA2TP53TSHR
SCHEMBL2163424 0.74 TPMT (0.62) TPMTCA1CA2GSK3BPTPN2

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 21 patents — showing the first 20. 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
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US 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
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-7001888-B2 Compositions and methods for treating cancer THRESHOLD PHARMACEUTICALS, INC. (US) 2006-02-21 US disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-20040029815-A1 Compositions and methods for treating cancer THRESHOLD PHARMACEUTICALS, INC. 2004-02-12 US disclosed
WO-2003082301-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THRESHOLD PHARMACEUTICALS, INC. (US) 2003-10-09 WO disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4337341-A 4a-Aryl-octahydro-1H-2-pyrindines ELI LILLY AND COMPANY (US) 1982-06-29 US disclosed
EP-0002937-A1 Novel pyrindines and their preparation, formulations and use ELI LILLY AND COMPANY (US) 1979-07-11 EP disclosed
US-3971825-A (5,6) (10,11) BIS-METHYLENE, BRONCHODILATORS SANKYO COMPANY LIMITED (JA) 1976-07-27 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 (3 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-20040029815-A1 Compositions and methods for treating cancer SLC2A2, SLC2A1, SLC2A3 TPMT 3310/4885CA1 289/4885CA2 513/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 TPMT 2767/4885CA1 4171/4885CA2 2002/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 TPMT 4281/4885CA1 1364/4885CA2 200/4885

“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.