SCHEMBL7675394

SCHEMBL7675394

O=C(O)C(O)(Cc1cccnc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.69
CYP3A4 P08684 3/20 0.69
CYP2C9 P11712 3/20 0.69
CYP2C19 P33261 2/20 0.69
HIF1A Q16665 1/20 0.69
FDPS P14324 5/20 0.60
KCNA5 P22460 1/20 0.59
BTN3A1 O00481 1/20 0.54
PDE3A Q14432 1/20 0.54
NAPRT Q6XQN6 1/20 0.53
TBXAS1 P24557 4/20 0.46
KDM4E B2RXH2 1/20 0.46
GPR132 Q9UNW8 1/20 0.46

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
SCHEMBL1234755 0.82 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL27564027 0.82 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL11806774 0.81 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL8630648 0.80 FDPS (0.63) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL7383822 0.78 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL8058455 0.78 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL7823617 0.77 VNN1 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL7823614 0.77 VNN1 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL6427877 0.77 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL7861665 0.77 FDPS (0.59) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444670-B2 ENZYME INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES; ANTI-DIABETIC AGENTS; TREATMENT OF INSULIN RESISTANCE ASSOCIATED WITH OBESITY, GLUCOSE INTOLERANCE, DIABETES MELLITUS, HYPERTENSION AND ISCHEMIC DISEASES OF VESSELS WYETH 2002-09-03 US disclosed
US-6340676-B2 ANTIBIABETIC AGENTS AMERICAN HOME PRODUCTS CORPORATION 2002-01-22 US disclosed
US-20020002187-A1 Benzothiophenes, benzofurans, and indoles useful in the treatment of insulin-resistance and hyperglycemia WYETH 2002-01-03 US disclosed
US-20010020037-A1 4-aryl-1-oxa-9-thia-cyclopenta (b) fluorenes AMERICAN HOME PRODUCTS CORPORATION (US) 2001-09-06 US disclosed
US-6281238-B1 USEFUL IN TREATING METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA. AMERICAN HOME PRODUCTS CORPORATION 2001-08-28 US disclosed
EP-1077969-A1 BENZOTHIOPHENES, BENZOFURANS, AND INDOLES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
EP-1077970-A1 11-ARYL-BENZO(B)NAPHTHO(2,3-D)FURANS AND 11-ARYL-BENZO(B)NAPHTHO(2,3-D)THIOPHENES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
US-6110962-A FOR TREATING INSULIN RESISTANCE, TYPE II DIABETES, HYPERGLYCEMIA, MODULATING INSULIN LEVELS IN MAMMALS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-29 US disclosed
US-6057316-A 4-aryl-1-oxa-9-thia-cyclopenta[b]fluorenes AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-02 US disclosed
US-6001867-A HYPOGLYCEMIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-14 US disclosed
WO-1999061435-A1 BENZOTHIOPHENES, BENZOFURANS, AND INDOLES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-02 WO disclosed
WO-1999058521-A1 11-ARYL-BENZO[B]NAPHTHO[2,3-D]FURANS AND 11-ARYL-BENZO[B]NAPHTHO[2,3-D]THIOPHENES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-18 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 (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-20010020037-A1 4-aryl-1-oxa-9-thia-cyclopenta (b) fluorenes INSR, IRS1, IGF1R CYP1A2 195/4885CYP3A4 374/4885CYP2C9 256/4885
US-20020002187-A1 Benzothiophenes, benzofurans, and indoles useful in the treatment of insulin-resistance and hyperglycemia IRS1, INSR, GPR119 CYP1A2 450/4885CYP3A4 622/4885CYP2C9 1332/4885

“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.