SCHEMBL3027336

SCHEMBL3027336

[CH2]C(=O)Nc1ccc(CCCCCC)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 3/20 0.70
▸ THRB P10828 3/20 0.70
▸ SPHK1 Q9NYA1 12/20 0.61
▸ CA12 O43570 1/20 0.59
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ CA9 Q16790 1/20 0.59
▸ S1PR1 P21453 1/20 0.59
▸ SPHK2 Q9NRA0 1/20 0.58
▸ POLB P06746 1/20 0.58

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
SCHEMBL5546223 0.98 THRA (0.68) THRATHRBSPHK1CA12CA1
SCHEMBL5539011 0.93 POLB (0.66) THRATHRBCA12CA1CA2
SCHEMBL15093871 0.86 CA12 (0.76) THRATHRBSPHK1CA12CA1
SCHEMBL11349336 0.86 CA12 (0.76) THRATHRBSPHK1CA12CA1
SCHEMBL27905675 0.86 CA12 (0.76) THRATHRBSPHK1CA12CA1
SCHEMBL11361435 0.86 CA12 (0.76) THRATHRBSPHK1CA12CA1
SCHEMBL15093429 0.86 CA12 (0.76) THRATHRBSPHK1CA12CA1
SCHEMBL11352018 0.86 CA12 (0.76) THRATHRBSPHK1CA12CA1
SCHEMBL12491077 0.86 THRA (0.69) THRATHRBSPHK1CA12CA1
SCHEMBL11353893 0.86 CA12 (0.76) THRATHRBSPHK1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 — — EP disclosed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 — — US disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 — — EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 — — US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 — — US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 — — US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 — — US disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 — — WO disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 — — EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 — — WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 — — WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 — — EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 — — WO disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 THRA 434/4885THRB 488/4885SPHK1 4582/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 THRA 2374/4885THRB 3088/4885SPHK1 3629/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 THRA 486/4885THRB 411/4885SPHK1 4378/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 THRA 1248/4885THRB 1687/4885SPHK1 4525/4885

“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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