SCHEMBL12374640

SCHEMBL12374640

COC(=O)c1c(-c2ccc(Cl)o2)noc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 1.00
POLB P06746 2/20 0.43
KDM4E B2RXH2 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
PTBP1 P26599 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
MEN1 O00255 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
SCHEMBL2279814 0.86 PTGS1 (0.75) PTGS1CA1CA2CA4CA7
SCHEMBL12374641 0.83 PTGS1 (1.00) PTGS1POLBKDM4EALDH1A1LMNA
SCHEMBL2280445 0.81 PTGS1 (1.00) PTGS1POLBALDH1A1SMN1; SMN2GAA
SCHEMBL12406050 0.80 PTGS1 (0.67) PTGS1KDM4EMAPT
SCHEMBL22570862 0.80 PTGS1 (0.73) PTGS1POLBKDM4EALDH1A1LMNA
SCHEMBL5777104 0.75 PTGS1 (0.65) PTGS1POLBKDM4EALDH1A1LMNA
SCHEMBL16502243 0.74 PTGS1 (0.73) PTGS1KDM4EALDH1A1LMNATP53
SCHEMBL6696047 0.74 PTGS1 (0.64) PTGS1POLBKDM4EALDH1A1LMNA
SCHEMBL12405718 0.73 PTGS1 (0.69) PTGS1
SCHEMBL13438 0.72 PTGS1 (0.69) PTGS1KDM4EALDH1A1LMNASMN1; SMN2

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 2 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 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 4/4885POLB 2568/4885KDM4E 3409/4885

“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.