SCHEMBL2398803

SCHEMBL2398803

COc1ccc2oc(C(C)N(O)C(N)=O)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.68
TAS1R3 Q7RTX0 4/20 0.52
TAS1R1 Q7RTX1 4/20 0.52
GAA P10253 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CA2 P00918 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA3 P07451 1/20 0.48
HPGD P15428 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48

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
SCHEMBL10480439 0.81 ALOX5 (0.63) ALOX5
SCHEMBL2395181 0.81 ALOX5 (1.00) ALOX5KDM4EALDH1A1SMN1; SMN2
SCHEMBL10480284 0.81 ALOX5 (0.71) ALOX5
SCHEMBL6341962 0.79 ALOX5 (0.68) ALOX5GAA
SCHEMBL13696703 0.78 ALOX5 (1.00) ALOX5
SCHEMBL9443921 0.78 ALOX5 (1.00) ALOX5
SCHEMBL2392090 0.77 ALOX5 (0.65) ALOX5GAAALDH1A1CA2POLB
Potassium SCHEMBL9443933 0.77 ALOX5 (0.97) ALOX5
SCHEMBL10480428 0.76 ALOX5 (0.64) ALOX5
SCHEMBL20559453 0.75 TAS1R3 (0.56) TAS1R3TAS1R1GAAKDM4EALDH1A1

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-20110209699-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LIPOXYGENASE INHIBITOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS, LLC 2011-09-01 US disclosed
US-20050090455-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a lipoxygenase inhibitor for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS, LLC. 2005-04-28 US disclosed
US-20050043282-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a lipoxygenase inhibitor for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS LLC 2005-02-24 US disclosed
EP-0279263-B1 INDOLE, BENZOFURAN, BENZOTHIOPHENE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-08-04 EP disclosed
US-4873259-A Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-10-10 US disclosed
EP-0279263-A2 Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-08-24 EP 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-20050090455-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a lipoxygenase inhibitor for treatment of asthma or chronic obstructive pulmonary disease HSD11B2, CYP17A1, ALOX5 ALOX5 3/4885TAS1R3 4831/4885TAS1R1 4785/4885
US-20050043282-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a lipoxygenase inhibitor for treatment of asthma or chronic obstructive pulmonary disease HSD11B2, CYP17A1, ALOX5 ALOX5 3/4885TAS1R3 4834/4885TAS1R1 4787/4885
US-20110209699-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LIPOXYGENASE INHIBITOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE HSD11B2, CYP17A1, ALOX5 ALOX5 3/4885TAS1R3 4831/4885TAS1R1 4785/4885

“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.