Sugi Predict

Sugi Predict / Compounds / SCHEMBL4244888

SCHEMBL4244888

SCHEMBL4244888

CCOC(=O)c1ccc2c(c1)[N]C(=O)CO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ USP2 O75604 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ SIRT2 Q8IXJ6 2/20 0.43

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
SCHEMBL29518299 0.77 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL29426140 0.77 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL11375464 0.76 LMNA (0.48) CA12CA1CA2CA7CA9
SCHEMBL2954111 0.74 MAPT (0.62) MAPTLMNAMAPK1USP2TSHR
SCHEMBL1751226 0.73 MAPT (0.59) CA12CA1CA2CA7CA9
SCHEMBL1640023 0.73 RAB9A (0.73) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL1464834 0.73 MAPK1 (0.69) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL29394052 0.73 RAB9A (0.73) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL16742164 0.71 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL10824721 0.71 MAPT (0.59) MAPTRAB9AKMT2ANPC1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 — — EP disclosed
US-7432258-B2 Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORPORATION (US) 2008-10-07 — — US disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 — — WO disclosed
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension GLAXOSMITHKLINE LLC 2008-01-24 — — US 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-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension UTS2R, PLAUR, FABP3 CA12 3689/4885CA1 1803/4885CA2 387/4885

“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.