SCHEMBL6070060

SCHEMBL6070060

CCC(=NO)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
GAA P10253 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
GSK3B P49841 2/20 0.48
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.43
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
EGFR P00533 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL27961041 0.80 HTT (0.46) HTTKDM4EALDH1A1MAPTGAA
SCHEMBL8910598 0.80 GAA (0.52) HTTKDM4EALDH1A1MAPTGAA
SCHEMBL13636390 0.80 GAA (0.52) HTTKDM4EALDH1A1MAPTGAA
SCHEMBL12741450 0.80 ESR1 (0.54) HTTKDM4EALDH1A1MAPTGAA
SCHEMBL10874676 0.80 ESR1 (0.54) HTTKDM4EALDH1A1MAPTGAA
SCHEMBL16563870 0.80 ESR1 (0.54) HTTKDM4EALDH1A1MAPTGAA
SCHEMBL1546559 0.78 GAA (0.50) HTTKDM4EALDH1A1MAPTGAA
SCHEMBL1186120 0.78 GAA (0.51) HTTKDM4EALDH1A1MAPTGAA
SCHEMBL2777133 0.78 GAA (0.50) HTTKDM4EGAAKMT2AMEN1
SCHEMBL1186121 0.78 GAA (0.51) HTTKDM4EALDH1A1MAPTGAA

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-7141672-B2 Oxazole-aryl-carboxylic acids useful in the treatment of insulin resistance and hyperglycemia WYETH (US) 2006-11-28 US disclosed
US-20040147755-A1 Oxazole-aryl-carboxylic acids useful in the treatment of insulin resistance and hyperglycemia WYETH (US) 2004-07-29 US disclosed
US-6699896-B1 METABOLIC DISORDERS, ANTIDIABETIC AGENTS; OBESITY WYETH 2004-03-02 US disclosed
EP-1077966-B1 BIPHENYL SULFONYL ARYL CARBOXYLIC ACIDS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA WYETH CORP (US) 2002-11-20 EP disclosed
US-6310081-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION 2001-10-30 US disclosed
US-6221902-B1 HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS AMERICAN HOME PRODUCTS CORPORATION 2001-04-24 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 (1 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-20040147755-A1 Oxazole-aryl-carboxylic acids useful in the treatment of insulin resistance and hyperglycemia GPR119, INSR, GCKR HTT 3224/4885KDM4E 2775/4885ALDH1A1 2969/4885

“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.