SCHEMBL5425604

SCHEMBL5425604

CCCCCCOCO[C]=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.38
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
CA9 Q16790 7/20 0.38
LPAR3 Q9UBY5 3/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA14 Q9ULX7 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 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
SCHEMBL5536045 0.98 CES2 (0.42) CES2HTTMEN1THRBKMT2A
SCHEMBL513839 0.91
SCHEMBL5482902 0.83 MEN1 (0.54) CES2HTTMEN1THRBKMT2A
SCHEMBL7209213 0.83 MEN1 (0.48) CES2HTTMEN1THRBKMT2A
SCHEMBL5544295 0.83 MEN1 (0.54) CES2HTTMEN1THRBKMT2A
SCHEMBL6759184 0.83 MEN1 (0.54) CES2HTTMEN1THRBKMT2A
SCHEMBL8362606 0.83 MEN1 (0.54) CES2HTTMEN1THRBKMT2A
SCHEMBL2855746 0.81 CA1 (0.43) CES2HTTMEN1THRBKMT2A
SCHEMBL77312 0.81 CA1 (0.43) CES2HTTMEN1THRBKMT2A
SCHEMBL157306 0.81 CA1 (0.43) CES2HTTMEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309619-A1 ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-10-07 US disclosed
US-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-09-07 US disclosed
EP-3828176-A1 ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT Hokko Chemical Industry Co., Ltd. (JP) 2021-06-02 EP disclosed
US-20200267985-A1 ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2020-08-27 US disclosed
WO-2020022350-A1 ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT 北興化学工業株式会社 2020-01-30 WO disclosed
US-9128238-B2 Optical material and molded product thereof MITSUI CHEMICALS, INC. (JP) 2015-09-08 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-20130030136-A1 OPTICAL MATERIAL AND MOLDED PRODUCT THEREOF MITSUI CHEMICALS, INC. (JP) 2013-01-31 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8354439-B2 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-15 US disclosed
US-20020013469-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. 2002-01-31 US disclosed
US-6291487-B1 THIAZOLES SUBSTITUTED WITH A PHENYL AND A PYRIDYL GROUP OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0957915-A1 AGENT FOR INHIBITION OF CYTOKINE PRODUCTION AND AGENT FOR INHIBITION OF CELL ADHESION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-11-24 EP disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
WO-1998014191-A1 AGENT FOR INHIBITION OF CYTOKINE PRODUCTION AND AGENT FOR INHIBITION OF CELL ADHESION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-04-09 WO disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 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 (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-20200267985-A1 ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT HAX1, CYP4X1, CANX CES2 91/4885HTT 1296/4885MEN1 3838/4885
US-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HAX1, CYP4X1, CANX CES2 91/4885HTT 1296/4885MEN1 3838/4885
US-20210309619-A1 ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS HAX1, CYP4X1, CNPY2 CES2 74/4885HTT 1266/4885MEN1 4096/4885
US-20020013469-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, SELL, IL1RN CES2 3810/4885HTT 4796/4885MEN1 2789/4885

“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.