SCHEMBL4189700

SCHEMBL4189700

CS(=O)(=O)c1ccc(-c2cnn(CC(F)(F)F)c(=O)c2OCCN2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.56
PTGS1 P23219 9/20 0.47
ESR1 P03372 4/20 0.47
ESR2 Q92731 4/20 0.47
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PTK2 Q05397 1/20 0.42
MCHR1 Q99705 1/20 0.40

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
SCHEMBL4195996 0.85 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL4198082 0.83 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL4187586 0.83 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL4192089 0.82 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL4184973 0.82 PTGS2 (0.56) PTGS2PTGS1JAK2JAK3PTK2
SCHEMBL4187463 0.82 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL4188254 0.82 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL4192101 0.81 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL4192411 0.81 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL4189050 0.80 PTGS2 (0.62) PTGS2PTGS1

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-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 US disclosed
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 (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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 PTGS2 3/4885PTGS1 1/4885ESR1 2739/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 PTGS2 3/4885PTGS1 2/4885ESR1 2419/4885

“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.