SCHEMBL6740349

SCHEMBL6740349

Cc1oc(Cc2ccc(Br)cc2)c(C(=O)c2ccc(O)c(C3CCCC3)c2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.37
BACE1 P56817 1/20 0.37
ADCY1 Q08828 2/20 0.35
ADCY8 P40145 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
THRB P10828 3/20 0.33
THRA P10827 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSP90AA1 P07900 1/20 0.33
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ALOX5 P09917 1/20 0.31
CCNA2 P20248 3/20 0.31
CDK2 P24941 3/20 0.31
CCNA1 P78396 3/20 0.31
KDM4E B2RXH2 3/20 0.31
MAPT P10636 3/20 0.31

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
SCHEMBL6731410 0.90 PTPN1 (0.37) NUDT1BACE1THRBTHRAMEN1
SCHEMBL6734073 0.87 PTGDR2 (0.39) HDAC1HDAC2MEN1KMT2APTGDR
SCHEMBL6734060 0.84 NUDT1 (0.34) NUDT1BACE1THRBMEN1KMT2A
SCHEMBL6735264 0.82 PTPN1 (0.40)
SCHEMBL6736467 0.80 PTPN1 (0.55) PTGDRPTGDR2MAPTHTT
SCHEMBL6731800 0.80 NUDT1 (0.37) NUDT1BACE1ADCY1ADCY8HDAC3
SCHEMBL6735058 0.77 PTPN1 (0.43) MEN1KMT2APTGDR2
SCHEMBL7083770 0.75 PTPN1 (0.45) PTGDRPTGDR2MAPTHTT
SCHEMBL6730807 0.72 GABRA1 (0.42) THRBTHRAMEN1KMT2AALOX5
SCHEMBL6730813 0.72 CYP1A2 (0.37) HDAC1HDAC2PTGDRPTGDR2ALDH1A1

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 NUDT1 1459/4885BACE1 4301/4885ADCY1 3419/4885
US-20020035272-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, FFAR3 NUDT1 1249/4885BACE1 4083/4885ADCY1 3691/4885

“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.