Sugi Predict

Sugi Predict / Compounds / SCHEMBL6731441

SCHEMBL6731441

SCHEMBL6731441

COc1c(C(C)C)cc(C(=O)c2c(Cc3ccccc3)oc(C)c2C)cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLRA1 P23415 2/20 0.43
▸ CYP2C19 P33261 2/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ GPR55 Q9Y2T6 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ PTPN1 P18031 2/20 0.35

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
SCHEMBL6730814 0.89 PIN1 (0.40) GLRA1CYP2C19POLB
SCHEMBL6738738 0.89 CYP2C19 (0.38) GLRA1CYP2C19ALDH1A1MAPTKMT2A
SCHEMBL6735422 0.89 CYP2C19 (0.36) GLRA1CYP2C19POLBKMT2AMEN1
SCHEMBL6736985 0.87 GABRA1 (0.53) GLRA1CYP2C19GABRA1GABRB1CNR2
SCHEMBL6731716 0.85 CYP2C19 (0.41) GLRA1CYP2C19GABRA1GABRB1CNR2
SCHEMBL6736525 0.84 CYP2C19 (0.46) CYP2C19CNR2GPR55ALDH1A1MAPT
SCHEMBL7670596 0.84 CYP2C19 (0.53) CYP2C19CNR2GPR55ALDH1A1MAPT
SCHEMBL6735279 0.79 PTPN1 (0.52) GLRA1PTPN1
SCHEMBL7670157 0.78 ALDH1A1 (0.47) GLRA1CYP2C19GABRA1GABRB1ALDH1A1
SCHEMBL6730807 0.76 GABRA1 (0.42) GLRA1CYP2C19GABRA1GABRB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683107-B2 THERAPY OF METABOLISM DISORDERS WYETH 2004-01-27 — — US disclosed
US-20030073709-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia WYETH 2003-04-17 — — US disclosed
US-6451845-B1 ANTIDIABETIC AGENTS WYETH 2002-09-17 — — US disclosed
US-20020035272-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia AMERICAN HOME PRODUCTS CORPORATION 2002-03-21 — — US disclosed
US-6248764-B1 ANTIDIABETIC AGENT; HYPOGLYCEMIC AGENT AMERICAN HOME PRODUCTS CORPORATION 2001-06-19 — — US disclosed
US-6103708-A USEFUL IN TREATING METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-15 — — 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 (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-20030073709-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia GPR119, INSR, FFAR3 GLRA1 776/4885CYP2C19 2141/4885GABRA1 549/4885
US-20020035272-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, FFAR3 GLRA1 782/4885CYP2C19 2160/4885GABRA1 682/4885

“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.