Sugi Predict

Sugi Predict / Compounds / SCHEMBL5997134

SCHEMBL5997134

SCHEMBL5997134

CCOC(=O)C1=NOC(c2c(C)cc(C)cc2C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MIF P14174 2/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL5996915 0.86 ALDH1A1 (0.51) ALDH1A1HTTL3MBTL1CYP3A4CYP2C19
SCHEMBL13075826 0.79 ALDH1A1 (0.47) ALDH1A1HTTL3MBTL1CYP3A4CYP2C19
SCHEMBL30599579 0.77 L3MBTL1 (0.44) ALDH1A1HTTL3MBTL1CYP3A4CYP2C19
SCHEMBL341388 0.77 ALDH1A1 (0.52) ALDH1A1HTTL3MBTL1CYP3A4CYP2C19
SCHEMBL5994480 0.75 ALDH1A1 (0.48) ALDH1A1HTTL3MBTL1CYP3A4CYP2C19
SCHEMBL8993717 0.74 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP3A4CYP2C19POLB
SCHEMBL892545 0.74 ALDH1A1 (0.54) ALDH1A1HTTL3MBTL1CYP3A4CYP2C19
SCHEMBL3716945 0.74 PKM (0.49) ALDH1A1L3MBTL1POLBKMT2AMAPK1
SCHEMBL10238668 0.73 ALDH1A1 (0.47) ALDH1A1HTTL3MBTL1CYP3A4CYP2C19
SCHEMBL13962782 0.73 ALDH1A1 (0.43) ALDH1A1HTTL3MBTL1CYP3A4CYP2C19

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
US-7026321-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-04-11 — — US disclosed
EP-1583751-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES CV THERAPEUTICS, INC. (US) 2005-10-12 — — EP disclosed
US-20040186109-A1 piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction CV THERAPEUTICS, INC. 2004-09-23 — — US disclosed
WO-2004069818-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES CV THERAPEUTICS INC. (US) 2004-08-19 — — WO 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-20040186109-A1 piperazine derivatives, e.g., (2R)-1-(2-methylbenzothiazol-5-yloxy)-3-[4-({5-[4-(trifluoromethyl)phenyl](4,5-dihydroisoxazol-3-yl)}methyl)piperazinyl]propan-2-ol; treating diabetes, arrhythmia, intermittent claudication, angina, congestive heart disease, and myocardial infarction KCNJ2, PPARA, PPARD ALDH1A1 109/4885HTT 4127/4885L3MBTL1 438/4885

“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.