Sugi Predict

Sugi Predict / Compounds / SCHEMBL4877342

SCHEMBL4877342

SCHEMBL4877342

CCOc1nc2cccc(C(=O)OC(C)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 3/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ ADORA3 P0DMS8 2/20 0.58
▸ ADRA2B P18089 2/20 0.58
▸ SLC6A2 P23975 2/20 0.58
▸ AGTR1 P30556 2/20 0.58
▸ PPARG P37231 2/20 0.58
▸ HTR2B P41595 2/20 0.58
▸ PDE3A Q14432 2/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ EGFR P00533 1/20 0.58
▸ ERBB2 P04626 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ ADRB3 P13945 1/20 0.58
▸ TBXAS1 P24557 1/20 0.58
▸ HTR2C P28335 1/20 0.58
▸ LTB4R2 Q9NPC1 1/20 0.58
▸ NAE1 Q13564 4/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 1/20 0.57

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
SCHEMBL10021558 0.94 AGTR2 (0.59) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL27224478 0.93 AGTR2 (0.53) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL682491 0.92 NAE1 (0.60) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL10033161 0.91 AGTR2 (0.60) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL1653406 0.90 AGTR2 (0.62) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL683298 0.90 AGTR2 (0.62) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL683350 0.90 NAE1 (0.62) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL684007 0.90 NAE1 (0.62) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL14522912 0.89 NAE1 (0.63) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL14544772 0.89 AGTR2 (0.60) AGTR2CYP3A4ADORA3ADRA2BSLC6A2

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-20120141561-A1 NANOPARTICULATE CANDESARTAN CILEXITIL COMPOSITIONS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NANOFORM CARDIOVASCULAR THERAPEUTICS LTD (GB) 2012-06-07 — — US disclosed
US-20080096923-A1 Methods For Diagnosing And Treating Diabetic Microvascular Complications ELI LILLY AND COMPANY 2008-04-24 — — US disclosed
EP-1778650-A1 PROCESS FOR PREPARING CANDESARTAN CILEXETIL Dr. Reddy's Laboratories Ltd. (IN) 2007-05-02 — — EP disclosed
WO-2006019851-A1 METHODS FOR DIAGNOSING AND TREATING DIABETIC MICROVASCULAR COMPLICATIONS ELI LILLY AND COMPANY (US) 2006-02-23 — — WO disclosed
WO-2006015134-A1 PROCESS FOR PREPARING CANDESARTAN CILEXETIL DR. REDDY'S LABORATORIES LTD. (IN) 2006-02-09 — — 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 (2 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-20120141561-A1 NANOPARTICULATE CANDESARTAN CILEXITIL COMPOSITIONS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AGTR1, AGTR2, SI AGTR2 2/4885CYP3A4 85/4885ADORA3 661/4885
US-20080096923-A1 Methods For Diagnosing And Treating Diabetic Microvascular Complications FLT4, TEK, MAP3K13 AGTR2 1298/4885CYP3A4 2528/4885ADORA3 1449/4885

“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.