SCHEMBL5989388

SCHEMBL5989388

COC(=O)COc1c(-c2ccccc2)cc([N+](=O)[O-])cc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.54
▸ PTGS2 P35354 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ GAA P10253 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ POLB P06746 1/20 0.41
▸ ACLY P53396 1/20 0.41
▸ PTPN7 P35236 1/20 0.41
▸ PTPN12 Q05209 1/20 0.41

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
SCHEMBL5989809 0.86 PTGDR2 (0.71) PTGDR2PTGS2CYP2C19RAB9AMEN1
SCHEMBL5004329 0.85 PTGDR2 (0.77) PTGDR2PTGS2ALDH1A1GAASMN1; SMN2
SCHEMBL5989469 0.81 PTGDR2 (0.50) PTGDR2ALDH1A1SMN1; SMN2CYP2C19MAPT
SCHEMBL5989812 0.81 BACE1 (0.51) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL15517693 0.77 PTGS2 (0.51) PTGS2ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL7712725 0.76 PTGS2 (0.50) PTGS2ALDH1A1GAASMN1; SMN2CYP2C19
SCHEMBL5989205 0.75 HDAC8 (0.52) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8060294 0.74 PTGS2 (0.61) PTGS2ALDH1A1GAASMN1; SMN2CYP2C19
SCHEMBL5988701 0.73 HDAC8 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL29408216 0.73 MAPT (0.47) PTGDR2PTGS2ALDH1A1CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7008636-B2 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH (US) 2006-03-07 — — US disclosed
US-20040214869-A1 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH 2004-10-28 — — US disclosed
US-6765021-B2 ANTIDIABETIC AGENTS WYETH 2004-07-20 — — US disclosed
US-20030083341-A1 2,3,5-Substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH 2003-05-01 — — US disclosed
US-6451827-B2 MODULATING BLOOD GLUCOSE CONCENTRATION WYETH 2002-09-17 — — US disclosed
US-20010018525-A1 2, 3, 5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH 2001-08-30 — — US disclosed
US-6214877-B1 ANTIDIABETIC AGENTS; MODULATOR OF GLUCOSE CONCENTRATION WYETH 2001-04-10 — — US disclosed
EP-1077929-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 — — EP disclosed
WO-1999061410-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-02 — — WO 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 (3 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-20030083341-A1 2,3,5-Substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 PTGDR2 3106/4885PTGS2 3889/4885ALDH1A1 3544/4885
US-20010018525-A1 2, 3, 5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 PTGDR2 3109/4885PTGS2 3895/4885ALDH1A1 3544/4885
US-20040214869-A1 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 PTGDR2 3106/4885PTGS2 3889/4885ALDH1A1 3544/4885

“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.

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