SCHEMBL5844765

SCHEMBL5844765

CSc1ccc(-c2cnn(CC(F)(F)F)c(=O)c2CCC(C)C)cc1F.O=c1cccn[nH]1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
METAP2 P50579 19/20 0.34

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
SCHEMBL4177923 0.90 PTGS2 (0.38) PTGS2
SCHEMBL4187497 0.78 ALDH1A1 (0.44) PTGS2
SCHEMBL4184036 0.74 PTGS2 (0.41) PTGS2
SCHEMBL4189726 0.74 PTGS2 (0.39) PTGS2
SCHEMBL4187448 0.73 PTGS2 (0.41) PTGS2METAP2
SCHEMBL4179892 0.73 TGFBR1 (0.34)
SCHEMBL4192577 0.70 PTGS2 (0.39) PTGS2METAP2
SCHEMBL4188086 0.70 PTGS2 (0.62) PTGS2
SCHEMBL7817113 0.66 PTGS2 (0.59) PTGS2
SCHEMBL4180686 0.62 PTGS2 (0.41) PTGS2

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-7115591-B2 Pyridazinone compounds as cyclooxygenase [COX] 2 inhibitorsfor gastrointestinal disorders ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885METAP2 1931/4885

“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.