Sugi Predict

Sugi Predict / Compounds / SCHEMBL936467

SCHEMBL936467

SCHEMBL936467

CCCCCCCC(=O)OCC.CCOC(=O)CCO

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 1/20 0.64
▸ PAM P19021 2/20 0.58
▸ LMNA P02545 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ DUSP3 P51452 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ MAPT P10636 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ CYP1A2 P05177 1/20 0.53
▸ DNM1 Q05193 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ PRKCA P17252 3/20 0.53
▸ PRKCE Q02156 1/20 0.53
▸ PRKCQ Q04759 1/20 0.53
▸ PRKCD Q05655 1/20 0.53
▸ MAPK1 P28482 1/20 0.52

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
Tetradecane SCHEMBL9947966 0.96 DGKA (0.57) DGKAPAMLMNAKDM4EDUSP3
Heptane SCHEMBL200855 0.96 DGKA (0.57) DGKAPAMLMNAKDM4EDUSP3
Ethylene Glycol SCHEMBL2355217 0.94 DGKA (0.67) DGKAPAMLMNAKDM4EDUSP3
Ethylene Glycol SCHEMBL7031941 0.94 DGKA (0.67) DGKAPAMLMNAKDM4EDUSP3
Ethylene Glycol SCHEMBL9394295 0.94 DGKA (0.67) DGKAPAMLMNAKDM4EDUSP3
Hexane SCHEMBL25882 0.94 MGAM (0.54) DGKAPAMLMNAKDM4EDUSP3
Hexane SCHEMBL7946812 0.94 MGAM (0.54) DGKAPAMLMNAKDM4EDUSP3
Ethyl Acetate SCHEMBL3310609 0.93 DGKA (0.56) DGKAPAMLMNAKDM4EDUSP3
Ethyl Acetate SCHEMBL3483756 0.93 DGKA (0.56) DGKAPAMLMNAKDM4EDUSP3
Hexane SCHEMBL5393961 0.92 DGKA (0.64) DGKAPAMLMNAKDM4EDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121308-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-04 — — US disclosed
EP-2602255-B1 FUSED HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-04-26 — — EP disclosed
EP-2604597-B1 HETEROCYCLIC COMPOUND AND USE THEREOF INHIBITOR OF PHOSPHODIESTERASE 10A TAKEDA PHARMACEUTICALS CO (JP) 2017-01-04 — — EP disclosed
EP-2222674-B1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2015-11-11 — — EP disclosed
US-9150588-B2 Substituted pyridazin-4(1H)-ones as phosphodiesterase 10A inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-06 — — US disclosed
US-8883788-B2 Fused heterocyclic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-11 — — US disclosed
US-8865699-B2 Amino triazoles as PI3K inhibitors CELLZOME LTD. (GB) 2014-10-21 — — US disclosed
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 — — US disclosed
EP-2604597-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-06-19 — — EP disclosed
EP-2602255-A1 FUSED HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-06-12 — — EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 — — US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 — — US disclosed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 — — US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 — — EP disclosed
CN-101952285-A Amino triazoles as PI3K inhibitors CELLZOME LTD 2011-01-19 — — CN disclosed
EP-2222674-A1 AMINO TRIAZOLES AS PI3K INHIBITORS Cellzome Limited (GB) 2010-09-01 — — EP disclosed
WO-2009068482-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2009-06-04 — — WO disclosed
EP-1097922-B1 5-THIA-OMEGA-SUBSTITUTED PHENYL-PROSTAGLANDIN E DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2005-03-16 — — EP disclosed
US-6462081-B1 SUCH AS A 9-OXO-11,15-DIHYDROXY-16-(3-METHOXYMETHYLPHENYL)-17,18,19,20-TETRANOR-5 -THIAPROST-13-ENOIC ACID; PROSTAGLANDIN E2 RECEPTOR BINDERS; AMYOTROPHIC LATERAL SCLEROSIS, LUPUS, MULTIPLE SCLEROSIS, SJOEGREN'S SYNDROME, RHEUMARTHROSIS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-10-08 — — US disclosed
EP-1097922-A1 5-THIA-OMEGA-SUBSTITUTED PHENYL-PROSTAGLANDIN E DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 — — 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-20170121308-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 DGKA 2976/4885PAM 983/4885LMNA 2993/4885
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 DGKA 1600/4885PAM 2561/4885LMNA 3028/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 DGKA 3956/4885PAM 1971/4885LMNA 2551/4885
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS PIK3C3, PIK3R3, PIK3R5 DGKA 2016/4885PAM 3488/4885LMNA 3858/4885

“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.