SCHEMBL5651394

SCHEMBL5651394

CCOC(=O)C1=Cc2ccc(C(C)(C)CNC(=O)OC(C)(C)C)cc2OC1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
P2RY6 Q15077 1/20 0.40
PTGS2 P35354 18/20 0.39
PTGS1 P23219 14/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL5648960 0.89 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL5645071 0.85 PTGS2 (0.46) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5645353 0.85 PTGS2 (0.41) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5642966 0.84 PTGS2 (0.45) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5645829 0.83 PTGS2 (0.44) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL6092049 0.83 PTGS2 (0.47) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5643925 0.82 PTGS2 (0.46) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5646666 0.82 PTGS2 (0.47) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5645779 0.80 PTGS2 (0.45) PTGS2PTGS1NFKB1NFKB2RELA
SCHEMBL5645157 0.79 PTGS2 (0.51) PTGS2PTGS1NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 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 (2 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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 ADRA2A 428/4885DRD5 2695/4885DRD3 1390/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES ADRA2A 618/4885DRD5 3056/4885DRD3 1982/4885

“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.