Sugi Predict

Sugi Predict / Compounds / SCHEMBL2664512

SCHEMBL2664512

SCHEMBL2664512

CCOOCCCC(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.57
▸ DGKA P23743 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ MGAM O43451 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL12017282 0.88 CYP1A2 (0.46) CYP1A2DGKAGAAMGAMSI
SCHEMBL8119466 0.86 GAA (0.50) CYP1A2DGKAGAAMGAMSI
SCHEMBL27759660 0.83 DGKA (0.64) CYP1A2DGKAALDH1A1TSHRKMT2A
SCHEMBL8667918 0.83 DGKA (0.64) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL907371 0.82 CYP1A2 (0.61) CYP1A2DGKAGAAMGAMSI
SCHEMBL27491913 0.82 DGKA (0.68) CYP1A2DGKAALDH1A1TSHRKMT2A
SCHEMBL1331978 0.81 CYP1A2 (0.73) CYP1A2DGKAGAAMGAMSI
SCHEMBL8570508 0.81 CYP1A2 (0.73) CYP1A2DGKAGAAMGAMSI
SCHEMBL50734 0.81 CYP1A2 (0.73) CYP1A2DGKAGAAMGAMSI
SCHEMBL50610 0.81 CYP1A2 (0.73) CYP1A2DGKAGAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107239-A1 Precursor of Molecular Probe for Pancreatic Islet Imaging and Use of the Same ARKRAY, INC. (JP) 2012-05-03 — — US disclosed
US-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 — — US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 — — US disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 — — US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 — — 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 (3 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-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds GCK, GCKR, HK1 CYP1A2 915/4885DGKA 1389/4885GAA 139/4885
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 CYP1A2 915/4885DGKA 1389/4885GAA 139/4885
US-20120107239-A1 Precursor of Molecular Probe for Pancreatic Islet Imaging and Use of the Same OGFRL1, OXSR1, IAPP CYP1A2 3670/4885DGKA 2493/4885GAA 3672/4885

“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.