SCHEMBL5598326

SCHEMBL5598326

O=S(=O)(Cl)Cl.O=[N+]([O-])c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.54
HSP90AA1 P07900 1/20 0.52
CXCR5 P32302 1/20 0.52
APLNR P35414 1/20 0.52
CCR6 P51684 1/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
GPR17 Q13304 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
PTPRC P08575 1/20 0.48
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
MPO P05164 1/20 0.47

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
SCHEMBL29703748 0.91 TSHR (0.61) KIF11HSP90AA1CXCR5APLNRCCR6
SCHEMBL439710 0.91 TSHR (0.61) KIF11HSP90AA1CXCR5APLNRCCR6
Hydrochloric Acid SCHEMBL155429 0.90 KIF11 (0.59) KIF11HSP90AA1CXCR5APLNRCCR6
Hydrochloric Acid SCHEMBL155430 0.90 KIF11 (0.59) KIF11HSP90AA1CXCR5APLNRCCR6
SCHEMBL29203888 0.90 KIF11 (0.59) KIF11HSP90AA1CXCR5APLNRCCR6
SCHEMBL30865102 0.90 KIF11 (0.59) KIF11HSP90AA1CXCR5APLNRCCR6
Sulfuric Acid SCHEMBL28225219 0.89 KIF11 (0.52) KIF11HSP90AA1CXCR5APLNRCCR6
Ethylene SCHEMBL28103381 0.88 KIF11 (0.58) KIF11HSP90AA1CXCR5APLNRCCR6
Nitrogen SCHEMBL8136806 0.88 KIF11 (0.58) KIF11HSP90AA1CXCR5APLNRCCR6
Methyl Alcohol SCHEMBL7379508 0.86 PTPRC (0.58) KIF11HSP90AA1CXCR5APLNRCCR6

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104678028-A Pretreatment and detection method for biogen amine neurotransmitter and detection kit INST PHARM & TOXICOLOGY AMMS 2015-06-03 CN claimed
CN-103492028-B Sulfonaminoquinoline hepcidin antagonists 维福(国际)股份公司 2017-02-08 CN disclosed
CN-104678028-A Pretreatment and detection method for biogen amine neurotransmitter and detection kit INST PHARM & TOXICOLOGY AMMS 2015-06-03 CN disclosed
CN-103492028-A Novel sulfonaminoquinoline hepcidin antagonists VIFOR INT AG 2014-01-01 CN disclosed
CN-100351243-C Peptide nucleic acid oligomers from 1-benzenesulfonyl-3-amino acid side chain-4- (2-nucleobase acetyl) -piperazin-2-one PANAGENE INC (KR) 2007-11-28 CN disclosed
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
EP-1465638-B1 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORP (US) 2007-05-16 EP disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-7119120-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2006-10-10 US disclosed
CN-1745087-A Novel tricyclic azepine derivatives, method for production therof and pharmaceutical compositions comprising the same SERVIER LAB (FR) 2006-03-08 CN disclosed
EP-1465638-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2004-10-13 EP disclosed
WO-2004052313-A2 ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed
US-20040019113-A1 Phosphate transport inhibitors GELTEX PHARMACEUTICALS, INC. 2004-01-29 US disclosed
CN-1438998-A Quinolinyl and benzothiazolyl PPAR-gamma modulators TULARIK INC (US) 2003-08-27 CN disclosed
WO-2003057225-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2003-07-17 WO disclosed
CN-1355697-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-06-26 CN disclosed
CN-1295677-A Method and apparatus for accelerated orthokeratology EASTA PHARMACEUTICALS INC (US) 2001-05-16 CN disclosed
CN-1281451-A Benzamidine derivatives MERCK PATENT GMBH (DE) 2001-01-24 CN disclosed
CN-1260345-A Hydrazide compound, its preparing method and medicine compositions thereof ADIR ET COMPANGIE (FR) 2000-07-19 CN disclosed
CN-1215990-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-05-05 CN 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 (2 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-20040019113-A1 Phosphate transport inhibitors SLC34A1, SLC34A2, SLC20A1 KIF11 4782/4885HSP90AA1 3241/4885CXCR5 4273/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 KIF11 4700/4885HSP90AA1 2743/4885CXCR5 4398/4885

“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.