SCHEMBL4200632

SCHEMBL4200632

O=C(O)c1cc(C(F)(F)F)ccc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.63
FOLH1 Q04609 1/20 0.62
RXRA P19793 2/20 0.60
RXRB P28702 2/20 0.60
RXRG P48443 2/20 0.60
MRGPRX4 Q96LA9 8/20 0.60
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PTGER1 P34995 2/20 0.55
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR2B P41595 1/20 0.53

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
SCHEMBL11768921 0.99 LRRK2 (0.61) LRRK2FOLH1RXRARXRBRXRG
SCHEMBL11768928 0.90 LRRK2 (0.61) LRRK2FOLH1RXRARXRBRXRG
SCHEMBL17141476 0.89 LRRK2 (0.58) LRRK2FOLH1RXRARXRBRXRG
SCHEMBL3995545 0.89 PTPN1 (0.58) LRRK2FOLH1RXRARXRBRXRG
SCHEMBL1647092 0.89 LRRK2 (0.65) LRRK2FOLH1RXRARXRBRXRG
SCHEMBL4721826 0.89 LRRK2 (0.64) LRRK2RXRARXRBRXRGMRGPRX4
SCHEMBL28544263 0.89 RXRA (0.60) LRRK2FOLH1RXRARXRBRXRG
SCHEMBL3991789 0.85 PTPN1 (0.58) LRRK2FOLH1RXRARXRBRXRG
SCHEMBL2451483 0.84 RXRA (0.58) FOLH1RXRARXRBRXRGMRGPRX4
SCHEMBL5465981 0.83 LRRK2 (0.55) LRRK2RXRARXRBRXRGMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders GLAXO GROUP LIMITED (GB) 2008-08-28 US disclosed
EP-1874776-A1 OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PGE2 MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
CN-1860113-A Nicotinamide derivatives useful as PDE4 inhibitors PFIZER (US) 2006-11-08 CN disclosed
WO-2006114274-A1 OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PGE2 MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2006-11-02 WO disclosed
CN-1829712-A Nicotinamide derivatives useful as PDE4 inhibitors PFIZER (US) 2006-09-06 CN disclosed
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors BARBER CHRISTOPHER G 2006-08-10 US disclosed
EP-1651641-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
EP-1651640-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
US-20050043326-A1 Compounds PFIZER INC 2005-02-24 US disclosed
WO-2005009994-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 US disclosed
US-4146631-A ANTIALLERGENS, RESPIRATORY DISORDERS MAY & BAKER LIMITED (GB) 1979-03-27 US disclosed
US-3953595-A Substituted benzoic acid hypolipemic agents PFIZER INC. (US) 1976-04-27 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 (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-20050020611-A1 Compounds NQO1, NAMPT, NNT LRRK2 2781/4885FOLH1 1820/4885RXRA 344/4885
US-20080207708-A1 Oxazole and Thiazole Compounds and Their Use in the Treatment of Pge2 Mediated Disorders PTGER1, PTGER2, PTGER4 LRRK2 3987/4885FOLH1 4507/4885RXRA 65/4885
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C LRRK2 3240/4885FOLH1 1273/4885RXRA 766/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT LRRK2 2781/4885FOLH1 1820/4885RXRA 344/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT LRRK2 2781/4885FOLH1 1820/4885RXRA 344/4885

“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.