SCHEMBL5100575

SCHEMBL5100575

CCOP(=O)(OCC)C(CC)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
POLB P06746 1/20 0.37
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP8 P22894 1/20 0.35
MAPT P10636 1/20 0.35
MMP3 P08254 1/20 0.34

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
SCHEMBL1052265 0.86 POLB (0.40) CYP3A4CYP2C9CYP2C19L3MBTL1GAA
SCHEMBL2983917 0.83 CA1 (0.39) CYP3A4CYP2C19GAACA1CA2
SCHEMBL6837614 0.83 PPARD (0.38) CYP3A4CYP2C9CYP2C19L3MBTL1GAA
SCHEMBL29533957 0.83 GAA (0.39) CYP3A4CYP2C9CYP2C19L3MBTL1GAA
SCHEMBL9651262 0.83 GAA (0.42) CYP3A4CYP2C9CYP2C19L3MBTL1GAA
SCHEMBL7216297 0.83 GAA (0.39) CYP3A4CYP2C9CYP2C19L3MBTL1GAA
SCHEMBL14355792 0.82 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19L3MBTL1GAA
SCHEMBL10451891 0.82 CA1 (0.49) CYP3A4CYP2C9CYP2C19L3MBTL1GAA
SCHEMBL28724497 0.80 ACHE (0.38) CYP3A4CYP2C9CYP2C19L3MBTL1GAA
SCHEMBL16501372 0.80 CA1 (0.37) CYP3A4CYP2C9CYP2C19L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105330698-B Loop coil aryl phosphorous oxides and sulfide 齐鲁制药有限公司 2019-05-28 CN disclosed
EP-3165530-B1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QILU PHARMACEUTICAL CO LTD (CN) 2018-12-05 EP disclosed
US-10053477-B2 Spirocyclic aryl phosphorus oxide and aryl phosphorus sulfide QILU PHARMACEUTICAL CO., LTD. (CN) 2018-08-21 US disclosed
US-9655879-B2 Heteroarylcarboxylic acid ester derivative EA PHARMA CO., LTD. (JP) 2017-05-23 US disclosed
US-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QUILU PHARMACEUTICAL CO., LTD. (CN) 2017-05-11 US disclosed
EP-3165530-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE Qilu Pharmaceutical Co., Ltd (CN) 2017-05-10 EP disclosed
US-20160058734-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2016-03-03 US disclosed
CN-105330698-A Spiro aryl phosphorus oxide or sulfide NANJING MINGDE DRUG R & D CO LTD 2016-02-17 CN disclosed
US-9227949-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2016-01-05 US disclosed
US-20150248969-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL FUJIFILM CORPORATION (JP) 2015-09-03 US disclosed
EP-1637525-B1 Benzoxazole compound, process for producing the same, and herbicides KYOYU AGRI CO LTD (JP) 2007-12-19 EP disclosed
CN-101084198-A Substituted amino-pyrimidones and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN disclosed
CN-101084199-A Substituted amino-compounds and uses thereof ASTRAZENECA AB (SE) 2007-12-05 CN disclosed
EP-1681287-A1 Benzoxazole compounds, process for producing the same, and herbicides Ube Industries, Ltd. (JP) 2006-07-19 EP disclosed
EP-1681286-A1 Benzoxazole compounds, process for producing the same, and herbicides Ube Industries, Ltd. (JP) 2006-07-19 EP disclosed
EP-1637525-A1 Benzoxazole compound, process for producing the same, and herbicides Ube Industries, Ltd. (JP) 2006-03-22 EP disclosed
US-20050233909-A1 Benzoxazole compounds, process for producing the same and herbicides UBE INDUSTRIES, LTD. (JP) 2005-10-20 US disclosed
US-6844295-B2 Benzoxazole compound, process for producing the same, and herbicide UBE INDUSTRIES, LTD. (JP) 2005-01-18 US disclosed
US-20040014977-A1 Benzoxazole compound, process for producing the same, and herbicide KYOYU AGRI CO., LTD. (JP) 2004-01-22 US disclosed
EP-1302466-A1 BENZOXAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE Ube Industries, Ltd. (JP) 2003-04-16 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 (6 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-20150248969-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL CHRM1, L1CAM, CRY1 CYP3A4 2673/4885CYP2C9 2626/4885CYP2C19 3409/4885
US-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE ALK, ROS1, ARSA CYP3A4 1469/4885CYP2C9 683/4885CYP2C19 579/4885
US-20050233909-A1 Benzoxazole compounds, process for producing the same and herbicides CBR3, CBR1, CYP4X1 CYP3A4 72/4885CYP2C9 35/4885CYP2C19 194/4885
US-10053477-B2 Spirocyclic aryl phosphorus oxide and aryl phosphorus sulfide ALK, ROS1, ARSA CYP3A4 1469/4885CYP2C9 683/4885CYP2C19 579/4885
US-20040014977-A1 Benzoxazole compound, process for producing the same, and herbicide CBR1, CBR3, CYP4X1 CYP3A4 65/4885CYP2C9 36/4885CYP2C19 241/4885
US-20160058734-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 CYP3A4 145/4885CYP2C9 292/4885CYP2C19 233/4885

“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.