SCHEMBL2716599

SCHEMBL2716599

CCOC(=O)C(C(=O)OCC)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ NR1H4 Q96RI1 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ MAOB P27338 1/20 0.55
▸ ALOX5 P09917 3/20 0.54
▸ NR4A1 P22736 1/20 0.54
▸ NR4A2 P43354 1/20 0.54
▸ NR4A3 Q92570 1/20 0.54
▸ FFAR1 O14842 1/20 0.53
▸ PRKCA P17252 1/20 0.53
▸ PRKCD Q05655 1/20 0.53
▸ MMP8 P22894 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
SCHEMBL27900716 0.94 LMNA (0.65) LMNAL3MBTL1NR1H4ALDH1A1MAOB
SCHEMBL6311563 0.93 LMNA (0.64) LMNAL3MBTL1NR1H4ALDH1A1MAOB
SCHEMBL31579489 0.90 LTA4H (0.60) LMNAL3MBTL1ALDH1A1MAOBALOX5
SCHEMBL7401422 0.87 LMNA (0.71) LMNAL3MBTL1NR1H4ALDH1A1MAOB
SCHEMBL27973452 0.86 LMNA (0.65) LMNAL3MBTL1NR1H4ALDH1A1MAOB
SCHEMBL27759836 0.85 LMNA (0.55) LMNAL3MBTL1NR1H4ALDH1A1
SCHEMBL27759813 0.85 LMNA (0.55) LMNAL3MBTL1NR1H4ALDH1A1
SCHEMBL8871420 0.85 LMNA (0.64) LMNAL3MBTL1NR1H4ALDH1A1MAOB
SCHEMBL11252632 0.84 LTA4H (0.56) LMNAL3MBTL1MAOBALOX5NR4A1
SCHEMBL14504374 0.83 LMNA (0.62) LMNAL3MBTL1NR1H4ALDH1A1MAOB

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
US-8772302-B2 GPR 119 agonists CADILA HEALTHCARE LIMITED (IN) 2014-07-08 — — US disclosed
EP-2445904-B1 1,3,2-DIOXATHIANE-2-OXIDE DERIVATIVES AND THEIR USE AS GPR 119 AGONISTS CADILA HEALTHCARE LTD (IN) 2013-09-11 — — EP disclosed
US-20120122905-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2012-05-17 — — US disclosed
EP-2445904-A1 NOVEL GPR 119 AGONISTS Cadila Healthcare Limited (IN) 2012-05-02 — — EP disclosed
WO-2010146605-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2010-12-23 — — WO disclosed
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 — — US disclosed
EP-0968164-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-01-05 — — EP disclosed
WO-1998033758-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-06 — — WO disclosed
EP-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 — — EP disclosed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 — — 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 (1 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-20120122905-A1 NOVEL GPR 119 AGONISTS GPR119, GPR4, GPR39 LMNA 4491/4885L3MBTL1 4650/4885NR1H4 71/4885

“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.

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