SCHEMBL1925762

SCHEMBL1925762

CCOC(=O)C(O)(CC(=O)c1ccc(F)cc1F)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 4/20 0.40
ACKR3 P25106 3/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
FBP1 P09467 1/20 0.38

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
SCHEMBL1925754 0.93 CES2 (0.41) CES2CES1RAB9ANPC1MAPT
SCHEMBL22710886 0.86 ABCB11 (0.42) MAPTACKR3POLBALDH1A1NPSR1
SCHEMBL30329906 0.86 ABCB11 (0.42) MAPTACKR3POLBALDH1A1NPSR1
SCHEMBL5397132 0.78 CES2 (0.44) CES2CES1RAB9ANPC1POLB
SCHEMBL8639619 0.77 PLOD2 (0.46) CES2CES1RAB9ANPC1MAPT
SCHEMBL9234534 0.77 CES2 (0.46) CES2CES1RAB9AMAPTPOLB
SCHEMBL2080446 0.77 CES2 (0.49) CES2CES1RAB9ANPC1MAPT
SCHEMBL1924400 0.76 ALDH1A1 (0.47) CES2CES1RAB9AMAPTPOLB
SCHEMBL367075 0.76 TSHR (0.57) CES2CES1RAB9ANPC1MAPT
SCHEMBL21654107 0.76 CES2 (0.55) CES2CES1ACKR3KMT2A

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 10 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-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 (3 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 CES2 4392/4885CES1 1317/4885RAB9A 2333/4885
US-20030119838-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 CES2 3558/4885CES1 885/4885RAB9A 2037/4885
US-20050085480-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 CES2 3277/4885CES1 709/4885RAB9A 2283/4885

“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.