SCHEMBL5247349

SCHEMBL5247349

[O]P(=O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
EPHX2 P34913 1/20 0.46
TSHR P16473 3/20 0.43
CALM1 P0DP23 1/20 0.43
FDPS P14324 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LAP3 P28838 2/20 0.40
ANPEP P15144 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40

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
SCHEMBL388208 0.80 HPGD (0.73) HPGDEPHX2TSHRCALM1FDPS
SCHEMBL9972116 0.76 HPGD (0.54) HPGDEPHX2TSHRCALM1FDPS
SCHEMBL10424306 0.76 HPGD (0.54) HPGDEPHX2TSHRCALM1FDPS
SCHEMBL497159 0.76 HPGD (0.60) HPGDTSHRFDPSCYP2C19LAP3
SCHEMBL73500 0.76 HPGD (0.54) HPGDEPHX2TSHRCALM1FDPS
SCHEMBL11300130 0.76 HPGD (0.54) HPGDEPHX2TSHRCALM1FDPS
Benzylphosphonic Acid SCHEMBL44318 0.76 HPGD (0.60) HPGDTSHRLAP3ANPEP
SCHEMBL8890450 0.76 HPGD (0.54) HPGDEPHX2TSHRCALM1FDPS
SCHEMBL10424304 0.76 HPGD (0.54) HPGDEPHX2TSHRCALM1FDPS
SCHEMBL2150764 0.76 HPGD (0.54) HPGDEPHX2TSHRCALM1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567107-B1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-21 EP claimed
EP-0608870-B1 Quinoline or quinazoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-09-05 EP claimed
US-5948782-A ANTIINFLAMMATORY AGENT; RHEUMATIC DISEASES TAKEDA CHEMICAL (JP) 1999-09-07 US claimed
US-5770602-A REACTING QUIONOZOLINE OR QUINOLINE DERIVATIVES CONTAINING LEAVING GROUPS WITH NITROGEN CONTAINING UNSATURATED CYCLIC GROUP WHICH MAY BE SUBSTITUTED OR UNSUBSTITUTED; ANTIARTHRITIC AGENT TAKEDA CHEMICAL INDUSTRIES (JP) 1998-06-23 US claimed
EP-0608870-A1 Quinoline or quinazoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-03 EP claimed
EP-0567107-A1 Quinoline and quinazoline derivatives for treating arthritis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 EP claimed
EP-1838678-A1 PROCESS FOR OBTAINING CIZOLIRTINE AND ITS ENANTIOMERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-03 EP disclosed
EP-1828175-A2 PROCESS FOR OBTAINING ENANTIOMERS OF THIENYLAZOLYLALCOXYETHANAMINES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP disclosed
US-7109349-B2 Process for obtaining Cizolirtine and its enantiomers LABORATORIOS DEL DR. ESTEVE, S/A (ES) 2006-09-19 US disclosed
US-7078531-B2 Process for obtaining enantiomers of thienylazolylalcoxyethanamines LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2006-07-18 US disclosed
WO-2006069766-A1 PROCESS FOR OBTAINING ENANTIOMERS OF CIZOLIRTINE LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO disclosed
WO-2006069767-A1 PROCESS FOR OBTAINING ENANTIOMERS OF THIENYLAZOLYLALCOXYETHANAMINES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO disclosed
US-20060142589-A1 Process for obtaining enantiomers of Cizolirtine LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-06-29 US disclosed
US-4689333-A ANTIULCER AGENTS, CASTRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-08-25 US disclosed
EP-0208452-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-01-14 EP disclosed
US-4628098-A Including Prevacid (TM) lansoprazole, 2-(3-methyl-4-(2,2,2-trifluoroethoxy)-5-methyl-pyrid-2 -yl)methylsulfinylbenzimidazole; proton pump inhibitors, antiulcer, antisecretory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-12-09 US disclosed
EP-0175464-A1 Benzimidazole derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1986-03-26 EP disclosed
EP-0174726-A1 Pyridine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1986-03-19 EP disclosed
US-4451471-A Certain 2,4,5-tri-substituted thiazoles, pharmaceutical compositions containing same and methods of using same CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
EP-0061425-A2 Thiazole derivatives, processes for their preparation, medicaments containing them and their use CIBA-GEIGY AG (CH) 1982-09-29 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 (1 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-20060142589-A1 Process for obtaining enantiomers of Cizolirtine MAP2K5, MAP2K4, MAP2K1 HPGD 2240/4885EPHX2 1535/4885TSHR 346/4885

“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.