SCHEMBL6734060

SCHEMBL6734060

Cc1oc(Cc2ccccc2Br)c(C(=O)c2ccc(O)c(C3CCCC3)c2)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.34
BACE1 P56817 1/20 0.34
EYA3 Q99504 2/20 0.33
CYP2C19 P33261 2/20 0.32
HSP90AA1 P07900 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
SLC22A12 Q96S37 2/20 0.30
EYA2 O00167 1/20 0.30
ABCC4 O15439 1/20 0.30
PLIN1 O60240 1/20 0.30
NR1I2 O75469 1/20 0.30
USP2 O75604 1/20 0.30
ABCB11 O95342 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TTR P02766 1/20 0.30

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
SCHEMBL6730813 0.88 CYP1A2 (0.37) CYP2C19ALDH1A1CYP1A2HPGDHTR2A
SCHEMBL6731410 0.86 PTPN1 (0.37) NUDT1BACE1EYA3HSP90AA1MEN1
SCHEMBL6740349 0.84 NUDT1 (0.37) NUDT1BACE1HSP90AA1MEN1KMT2A
SCHEMBL6731316 0.81 PTPN1 (0.52) PTPN1
SCHEMBL6730985 0.76 PTPN1 (0.44) MAPTPTPN1MAPK1
SCHEMBL6730817 0.74 CYP2C19 (0.42) CYP2C19MEN1KMT2ALMNASLC22A12
SCHEMBL6735058 0.74 PTPN1 (0.43) MEN1KMT2APTPN1PDE4D
SCHEMBL6731106 0.74 GABRA1 (0.46) EYA3CYP2C19MEN1KMT2ALMNA
SCHEMBL6734073 0.72 PTGDR2 (0.39) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL6731716 0.69 CYP2C19 (0.41) EYA3CYP2C19MEN1KMT2ALMNA

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 4301/4885EYA3 3536/4885
US-20020035272-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, FFAR3 NUDT1 1249/4885BACE1 4083/4885EYA3 3483/4885

“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.