SCHEMBL660554

SCHEMBL660554

[O]S(=O)(=O)c1cccc2cc3ccccc3cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
HSD17B10 Q99714 2/20 0.38
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CES1 P23141 1/20 0.38
TTR P02766 1/20 0.38
FABP4 P15090 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK14 Q16539 1/20 0.38
MEN1 O00255 3/20 0.37

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
SCHEMBL3768625 0.85 HTR6 (0.46) ALDH1A1KDM4EGAACA1CA2
SCHEMBL155232 0.83 TTR (0.50) ALDH1A1KDM4EGAACA1CA2
Anthracene SCHEMBL27538789 0.83 TTR (0.50) ALDH1A1KDM4EGAACA1CA2
SCHEMBL29623319 0.83 TTR (0.50) ALDH1A1KDM4EGAACA1CA2
SCHEMBL1394931 0.82 TTR (0.48) ALDH1A1KDM4EGAACA1CA2
SCHEMBL19025117 0.82 TTR (0.48) ALDH1A1KDM4EGAACA1CA2
SCHEMBL1394934 0.82 TTR (0.48) ALDH1A1KDM4EGAACA1CA2
SCHEMBL528644 0.82 CA2 (0.68) ALDH1A1KDM4EGAACA1CA2
SCHEMBL725590 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EGAACA1CA2
SCHEMBL11680739 0.82 TTR (0.48) ALDH1A1KDM4EGAACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926274-B2 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2018-03-27 US disclosed
US-20170247342-A1 PRODUCTION METHOD FOR 3,3-DIMETHYL-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD SANTEN PHARMACEUTICAL CO., LTD. (JP) 2017-08-31 US disclosed
US-9676703-B2 Production method for 3,3-dimethyl-3,4-dihydro-1H-quinoxalin-2-one derivative and intermediate for said production method SANTEN PHARMACEUTICAL CO., LTD. (JP) 2017-06-13 US disclosed
EP-2650282-B1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO (JP) 2017-06-07 EP disclosed
EP-2650283-B1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO (JP) 2017-06-07 EP disclosed
US-20160200690-A1 PRODUCTION METHOD FOR 3,3-DIMETHYL-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD SANTEN PHARMACEUTICAL CO., LTD. (JP) 2016-07-14 US disclosed
EP-3031802-A1 PRODUCTION METHOD FOR 3, 3-DIMETHYL-3, 4-DIHYDRO-1H-QUINOXALINE-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD Santen Pharmaceutical Co., Ltd (JP) 2016-06-15 EP disclosed
US-9255070-B2 Method of deuteration using mixed catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-20150141653-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO (JP) 2015-05-21 US disclosed
US-9000156-B2 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2015-04-07 US disclosed
WO-2004037776-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2004-05-06 WO disclosed
WO-2004037775-A1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES NOVO NORDISK A/S (DK) 2004-05-06 WO disclosed
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists SHIONOGI & CO., LTD. 2003-02-06 US disclosed
US-6506789-B2 For prophylaxis and therapy of itching derived from contact dermatitis, allergic conjunctivitis, urticaria, atopic dermatitis SHIONOGI & CO., LTD. (JP) 2003-01-14 US disclosed
US-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists ARIMURA AKINORI (JP) 2002-05-16 US disclosed
CN-1304320-A Drug composition containing PGD antagonists for curing inthing SHIONOGI & CO (JP) 2001-07-18 CN disclosed
EP-1084711-A1 REMEDIES FOR ITCHING CONTAINING PGD 2? ANTAGONISTS SHIONOGI & CO., LTD. (JP) 2001-03-21 EP disclosed
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 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 (5 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-20170247342-A1 PRODUCTION METHOD FOR 3,3-DIMETHYL-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD CBR3, NOS3, CBR1 ALDH1A1 965/4885KDM4E 1362/4885GAA 2799/4885
US-20160200690-A1 PRODUCTION METHOD FOR 3,3-DIMETHYL-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD CBR3, NOS3, CBR1 ALDH1A1 1041/4885KDM4E 1301/4885GAA 2900/4885
US-20150141653-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT ALDH1A1 3841/4885KDM4E 797/4885GAA 1736/4885
US-20020058693-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 ALDH1A1 969/4885KDM4E 4756/4885GAA 2996/4885
US-20030027854-A1 Methods for the treatment of itching comprising administering PGD2 receptor antagonists HRH2, PTGER2, PTGDR2 ALDH1A1 969/4885KDM4E 4756/4885GAA 2996/4885

“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.