SCHEMBL3636717

SCHEMBL3636717

COc1c(C(C)C)cc(C(=O)O)cc1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 6/20 0.50
THRA P10827 3/20 0.47
THRB P10828 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA3 P07451 1/20 0.47
PKM P14618 1/20 0.47
CA5A P35218 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
PTGS2 P35354 1/20 0.44
GLRA1 P23415 1/20 0.43
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
SRD5A2 P31213 1/20 0.42

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
SCHEMBL28077399 0.89 TPMT (0.62) TPMTTHRATHRBCA1CA2
SCHEMBL21880322 0.88 TPMT (0.63) TPMTTHRATHRBCA1CA2
SCHEMBL10323205 0.85 TPMT (0.41) TPMTTHRATHRBCA1CA2
SCHEMBL9988559 0.84 KMT2A (0.50) TPMTTHRATHRBCA1CA2
SCHEMBL10322563 0.84 TPMT (0.41) TPMTTHRATHRBCA1CA2
SCHEMBL28004474 0.82 TPMT (0.46) TPMTTHRATHRBCA1CA2
SCHEMBL16425260 0.81 THRA (0.77) TPMTTHRATHRB
SCHEMBL9090807 0.81 THRA (0.45) THRATHRBGLRA1FABP3FABP4
SCHEMBL8476886 0.80 GLRA1 (0.48) TPMTTHRATHRBCA1CA2
SCHEMBL31383373 0.78 THRA (0.43) TPMTTHRATHRBCA1CA2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155183-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals Ltd. (CA) 2010-02-24 EP disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
WO-2008141446-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-27 WO disclosed
US-20050065208-A1 Benzofuranes and their use in the treatment of atrial fibrillation KARO BIO AB (SE) 2005-03-24 US disclosed
EP-1408958-A1 BENZOFURANES AND THEIR USE IN THE TREATMENT OF ATRIAL FIBRILLATION KARO BIO AB (SE) 2004-04-21 EP disclosed
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
WO-2003009839-A1 BENZOFURANES AND THEIR USE IN THE TREATMENT OF ATRIAL FIBRILLATION KARO BIO AB (SE) 2003-02-06 WO disclosed
US-6248764-B1 ANTIDIABETIC AGENT; HYPOGLYCEMIC AGENT AMERICAN HOME PRODUCTS CORPORATION 2001-06-19 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
EP-1077968-A1 NAPHTHO[2,3-B]HETEROAR-4-YL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
US-6121271-A ANTIDIABETIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-09-19 US 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-6103708-A USEFUL IN TREATING METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-15 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-1999058522-A1 NAPHTHO[2,3-B]HETEROAR-4-YL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-18 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 (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-20030073709-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia GPR119, INSR, FFAR3 TPMT 453/4885THRA 32/4885THRB 28/4885
US-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I TPMT 443/4885THRA 853/4885THRB 465/4885
US-20050065208-A1 Benzofuranes and their use in the treatment of atrial fibrillation KCNH1, KCNJ2, KCNQ2 TPMT 1724/4885THRA 1678/4885THRB 1466/4885

“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.