SCHEMBL2279481

SCHEMBL2279481

O=C(O)c1onc(-c2ccc(Cl)o2)c1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 11/20 0.74
PTGS2 P35354 3/20 0.49
PTPN1 P18031 2/20 0.44
ALDH1A1 P00352 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
DUSP3 P51452 1/20 0.39

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
SCHEMBL12374633 0.90 PTGS1 (0.73) PTGS1PTGS2PTPN1ADORA2AADORA1
SCHEMBL2280445 0.85 PTGS1 (1.00) PTGS1PTGS2ALDH1A1
SCHEMBL18794919 0.81 PTGS2 (0.55) PTGS1PTGS2PTPN1ALDH1A1ADORA1
SCHEMBL19520574 0.81 PTGS1 (0.74) PTGS1PTGS2
SCHEMBL15920036 0.79 PTGS1 (1.00) PTGS1PTGS2ADORA2AADORA1
SCHEMBL2274816 0.79 PTGS1 (1.00) PTGS1PTGS2
SCHEMBL19537415 0.79 PTGS1 (0.71) PTGS1PTGS2
SCHEMBL19537566 0.79 PTGS1 (0.73) PTGS1PTGS2
SCHEMBL2277587 0.79 PTGS1 (0.67) PTGS1PTGS2
SCHEMBL2279814 0.79 PTGS1 (0.75) PTGS1PTGS2PTPN1ALDH1A1DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989450-B2 Functionalized diarylisoxazoles inhibitors of ciclooxygenase UNIVERSITA' DEGLI STUDI DI BARI (IT) 2011-08-02 US claimed
US-7989450-B2 Functionalized diarylisoxazoles inhibitors of ciclooxygenase UNIVERSITA' DEGLI STUDI DI BARI (IT) 2011-08-02 US disclosed
US-7989450-B2 Functionalized diarylisoxazoles inhibitors of ciclooxygenase UNIVERSITA' DEGLI STUDI DI BARI (IT) 2011-08-02 US disclosed
US-7989450-B2 Functionalized diarylisoxazoles inhibitors of ciclooxygenase UNIVERSITA' DEGLI STUDI DI BARI (IT) 2011-08-02 US disclosed
US-20090181970-A1 Functionalized diarylisoxazoles inhibitors of ciclooxygenase UNIVERSITA' DEGLI STUDI DI BARI (IT) 2009-07-16 US disclosed
US-20090181970-A1 Functionalized diarylisoxazoles inhibitors of ciclooxygenase UNIVERSITA' DEGLI STUDI DI BARI (IT) 2009-07-16 US disclosed
US-20090181970-A1 Functionalized diarylisoxazoles inhibitors of ciclooxygenase UNIVERSITA' DEGLI STUDI DI BARI (IT) 2009-07-16 US 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 PTGS1 4/4885PTGS2 12/4885PTPN1 1322/4885

“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.