SCHEMBL2279510

SCHEMBL2279510

CCc1onc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 1.00
PTGS1 P23219 6/20 1.00
PDE3A Q14432 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP4B1 P13584 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP3A5 P20815 1/20 0.46
CYP2A7 P20853 1/20 0.46
CYP3A7 P24462 1/20 0.46
CYP2F1 P24903 1/20 0.46
CYP2C18 P33260 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2J2 P51589 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
SCHEMBL13524347 0.85 PTGS2 (0.73) PTGS2PTGS1CYP3A4CA12MT-CO2
SCHEMBL4880685 0.84 PTGS2 (0.77) PTGS2PTGS1CYP3A4CA12MT-CO2
SCHEMBL28096745 0.81 PTGS2 (0.69) PTGS2PTGS1PDE3ACYP3A4CA12
SCHEMBL13981827 0.81 PTGS1 (0.69) PTGS2PTGS1LMNA
SCHEMBL29787341 0.81 PTGS2 (0.69) PTGS2PTGS1CYP3A4CYP1A1CYP1A2
SCHEMBL10078260 0.81 PTGS2 (0.69) PTGS2PTGS1CYP3A4CYP1A1CYP1A2
SCHEMBL8802159 0.80 PTGS2 (0.64) PTGS2PTGS1PDE3ACYP3A4CA12
SCHEMBL8802163 0.80 PTGS2 (0.64) PTGS2PTGS1PDE3ACYP3A4CA12
SCHEMBL12088074 0.80 PTGS2 (0.67) PTGS2PTGS1CYP3A4CYP1A1CYP1A2
SCHEMBL13241360 0.80 PTGS2 (0.75) PTGS2PTGS1PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246337-B1 Isoxazole derivatives for use as cyclooxygenase inhibitors UNIV BARI (IT) 2011-12-21 EP claimed
EP-2246337-A1 Use of isoxazole derivatives as cyclooxygenase inhibitors Universita' degli Studi di Bari (IT) 2010-11-03 EP claimed
EP-2246337-B1 Isoxazole derivatives for use as cyclooxygenase inhibitors UNIV BARI (IT) 2011-12-21 EP disclosed
US-7989450-B2 Functionalized diarylisoxazoles inhibitors of ciclooxygenase UNIVERSITA' DEGLI STUDI DI BARI (IT) 2011-08-02 US disclosed
EP-2246337-A1 Use of isoxazole derivatives as cyclooxygenase inhibitors Universita' degli Studi di Bari (IT) 2010-11-03 EP disclosed
EP-2246337-A1 Use of isoxazole derivatives as cyclooxygenase inhibitors Universita' degli Studi di Bari (IT) 2010-11-03 EP disclosed
EP-1706390-B1 ISOXAZOLE DERIVATIVES AND THEIR USE AS CYCLOOXYGENASE INHIBITORS UNIV BARI (IT) 2010-05-19 EP disclosed
US-20090181970-A1 Functionalized diarylisoxazoles inhibitors of ciclooxygenase UNIVERSITA' DEGLI STUDI DI BARI (IT) 2009-07-16 US disclosed
EP-1706390-A2 ISOXAZOLE DERIVATIVES AND THEIR USE AS CYCLOOXYGENASE INHIBITORS Universita' degli studi di Bari (IT) 2006-10-04 EP disclosed
WO-2005123701-A1 METHOD FOR THE PREPARATION OF DIARYLISOXAZOLE SULFONAMIDE COMPOUNDS AND INTERMEDIATES PHARMACIA CORPORATION (US) 2005-12-29 WO disclosed
WO-2005068442-A2 ISOXAZOLE DERIVATIVES AND THEIR USE AS CYCLOOXYGENASE INHIBITORS UNIVERSITA DEGLI STUDI DI BARI (IT) 2005-07-28 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 (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-20090181970-A1 Functionalized diarylisoxazoles inhibitors of ciclooxygenase PTGIS, ALOX5, ALOX15 PTGS2 12/4885PTGS1 4/4885PDE3A 776/4885

“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.