Sugi Predict

Sugi Predict / Compounds / SCHEMBL509488

SCHEMBL509488

SCHEMBL509488

CCc1cc(Cl)cc(Cl)c1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ PTGS2 P35354 3/20 0.43
▸ P2RX7 Q99572 2/20 0.43
▸ CHRM1 P11229 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CA2 P00918 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GPR17 Q13304 1/20 0.36

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
SCHEMBL509958 0.90 PTGDR2 (0.46) PTGDR2AKR1B1PTGS2KDM4EALDH1A1
SCHEMBL920912 0.85 P2RX7 (0.43) PTGDR2PTGS2P2RX7ALDH1A1HPGD
SCHEMBL5191843 0.84 AKR1B1 (0.61) AKR1B1PTGS2CHRM1KDM4ECA2
SCHEMBL509061 0.84 AKR1B1 (0.44) PTGDR2AKR1B1PTGS2KDM4ECA2
SCHEMBL13527353 0.84 PTGDR2 (0.42) PTGDR2AKR1B1PTGS2KDM4EALDH1A1
SCHEMBL20562669 0.82 AKR1B1 (0.43) PTGDR2AKR1B1PTGS2CA2
SCHEMBL14661247 0.81 MAPT (0.46) P2RX7KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14661218 0.80 AKR1B1 (0.39) PTGDR2AKR1B1PTGS2CHRM1KDM4E
SCHEMBL15132120 0.80 ALDH1A1 (0.38) P2RX7ALDH1A1HSD17B10
SCHEMBL510312 0.80 KDM4E (0.46) PTGDR2AKR1B1PTGS2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734526-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-04-06 — — EP disclosed
US-9221832-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-12-29 — — US disclosed
US-20140163035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2014-06-12 — — US disclosed
EP-2734526-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-05-28 — — EP disclosed
US-8507410-B2 Pyridazinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 — — US disclosed
US-8470738-B2 Pyridazinone compound and herbicide containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-25 — — US disclosed
WO-2013014587-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-31 — — WO disclosed
US-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 — — US disclosed
EP-2406232-A1 PYRIDAZINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-01-18 — — EP disclosed
EP-2188264-B1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2011-03-23 — — EP disclosed
US-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-01-06 — — US disclosed
WO-2010104217-A1 PYRIDAZINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 — — WO disclosed
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-26 — — US disclosed
WO-2010069526-A1 HERBICIDALLY AND INSECTICIDALLY EFFECTIVE PHENYL-SUBSTITUED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-06-24 — — WO disclosed
EP-2188264-A2 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-05-26 — — EP disclosed
WO-2009035150-A2 4-PHENYL-5-HYDROXY-3(2H)-PYRIDAZINONE DERIVATIVES AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 — — WO disclosed
US-20060160847-A1 2,4-Dihalogen-6-(c2-c3alkyl)-phenyl substituted tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2006-07-20 — — US disclosed
EP-1587786-A1 2.4-DIHALOGEN-6-(C sb 2 /sb -C sb 3 /sb -ALKYL)-PHENYL SUBSTITUTED TETRAMIC ACID DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2005-10-26 — — EP disclosed
WO-2004065366-A1 2.4-DIHALOGEN-6-(C2-C3-ALKYL)-PHENYL SUBSTITUTED TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-05 — — WO 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-20120028803-A1 PYRIDAZINONE COMPOUND AND USE THEREOF C5, C1S, WEE1 PTGDR2 880/4885AKR1B1 521/4885PTGS2 2562/4885
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 PTGDR2 1348/4885AKR1B1 114/4885PTGS2 2045/4885
US-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX1, PNPO PTGDR2 1919/4885AKR1B1 208/4885PTGS2 1062/4885
US-20140163035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 PTGDR2 433/4885AKR1B1 834/4885PTGS2 1489/4885
US-20060160847-A1 2,4-Dihalogen-6-(c2-c3alkyl)-phenyl substituted tetramic acid derivatives DDT, DDC, DAO PTGDR2 1551/4885AKR1B1 1370/4885PTGS2 3356/4885

“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.