SCHEMBL1925793

SCHEMBL1925793

CCOC(=O)C(O)(CC(=O)c1ccc(-c2ccccc2)cc1)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HPGD P15428 2/20 0.51
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 2/20 0.48
AGTR1 P30556 1/20 0.48
USP2 O75604 1/20 0.46
PTPN1 P18031 1/20 0.46
GSK3B P49841 1/20 0.46
LMNA P02545 4/20 0.45
FFAR1 O14842 1/20 0.45
CYP1A2 P05177 1/20 0.45
RAB9A P51151 1/20 0.45
HIF1A Q16665 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1925814 0.94 POLB (0.56) POLBNPSR1MAPTSMN1; SMN2L3MBTL1
SCHEMBL20476879 0.82 TSHR (0.51) POLBNPSR1MAPTSMN1; SMN2L3MBTL1
SCHEMBL4854003 0.81 MAOB (0.55) POLBNPSR1MAPTSMN1; SMN2L3MBTL1
SCHEMBL5402060 0.80 ALDH1A1 (0.60) POLBNPSR1MAPTSMN1; SMN2L3MBTL1
SCHEMBL1925422 0.79 NPSR1 (0.55) POLBNPSR1MAPTALDH1A1PTPN1
SCHEMBL5899954 0.79 NPSR1 (0.50) POLBNPSR1MAPTSMN1; SMN2L3MBTL1
SCHEMBL22711028 0.78 GSK3B (0.47) POLBNPSR1MAPTSMN1; SMN2L3MBTL1
SCHEMBL20471270 0.77 ALDH1A1 (0.59) POLBNPSR1SMN1; SMN2L3MBTL1HPGD
SCHEMBL12121920 0.76 POLB (0.66) POLBNPSR1MAPTSMN1; SMN2HPGD
SCHEMBL1924400 0.75 ALDH1A1 (0.47) POLBNPSR1MAPTL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1431293-B1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2011-06-08 EP disclosed
US-7211577-B2 Water-soluble phenylpyridazine derivative and medicine containing the same KOWA CO., LTD. (JP) 2007-05-01 US disclosed
US-7087606-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2006-08-08 US disclosed
US-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases KOWA CO., LTD. (JP) 2006-06-29 US disclosed
EP-1604984-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVE AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2005-12-14 EP disclosed
US-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-04-21 US disclosed
US-6869954-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-22 US disclosed
US-6861428-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-01 US disclosed
EP-1431293-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2004-06-23 EP disclosed
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2004-01-01 US disclosed
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2003-06-26 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 (4 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-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases IL1B, IL1A, IL1R1 POLB 1602/4885NPSR1 2732/4885MAPT 2720/4885
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 POLB 3220/4885NPSR1 1744/4885MAPT 4469/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 POLB 3368/4885NPSR1 1561/4885MAPT 4306/4885
US-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 POLB 3181/4885NPSR1 1298/4885MAPT 4374/4885

“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.