SCHEMBL6736716

SCHEMBL6736716

COc1ccc(C(=O)c2c(Cc3ccc(Br)cc3)sc(C)c2C)cc1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.39
PTGDR Q13258 2/20 0.39
SMPD1 P17405 1/20 0.36
FLT3 P36888 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.34
KMT2A Q03164 1/20 0.34
ALOX12 P18054 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
KDM1A O60341 1/20 0.33
PIM1 P11309 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6735126 0.90 MAPT (0.40) PTGDR2FLT3ALDH1A1MAPTHPGD
SCHEMBL6731800 0.87 NUDT1 (0.37) PTGDR2PTGDRMAPTHPGDKMT2A
SCHEMBL6734073 0.81 PTGDR2 (0.39) PTGDR2PTGDRSMPD1ALDH1A1MAPT
SCHEMBL6731859 0.81 PTPN1 (0.48) PTGDR2PTGDRMAPTLMNASMN1; SMN2
SCHEMBL6734224 0.77 MAPT (0.37) ALDH1A1MAPTHPGDKMT2AKDM4E
SCHEMBL7757797 0.72 PTGDR2 (0.36) PTGDR2PTGDRALDH1A1MAPTHPGD
SCHEMBL7672920 0.72 ACHE (0.55) FLT3ALDH1A1MAPTHPGDKMT2A
SCHEMBL7674963 0.72 MAPT (0.45) FLT3ALDH1A1MAPTHPGDKMT2A
SCHEMBL6735058 0.71 PTPN1 (0.43) PTGDR2KMT2ABCHEACHEPDE4A
SCHEMBL6731533 0.71 PTPN1 (0.45) MAPT

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 PTGDR2 2507/4885PTGDR 1995/4885SMPD1 3709/4885
US-20020035272-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, FFAR3 PTGDR2 2433/4885PTGDR 1960/4885SMPD1 3375/4885

“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.