SCHEMBL14497487

SCHEMBL14497487

COc1ccc(C2=C(c3ccc(C)cc3)CN(c3cccc(F)c3)C2=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 17/20 0.77
PTGS2 P35354 15/20 0.77
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL14516244 0.92 PTGS1 (0.79) PTGS1PTGS2MAPT
SCHEMBL8302475 0.86 PTGS1 (0.71) PTGS1PTGS2POLBTDP1
SCHEMBL14497495 0.86 PTGS1 (0.76) PTGS1PTGS2POLB
SCHEMBL14497481 0.86 PTGS1 (0.74) PTGS1PTGS2
SCHEMBL8289148 0.84 PTGS1 (0.67) PTGS1PTGS2POLBTDP1
SCHEMBL14516168 0.80 PTGS1 (0.80) PTGS1PTGS2
SCHEMBL14516618 0.79 PTGS1 (0.76) PTGS1PTGS2MAPT
SCHEMBL14497482 0.78 PTGS1 (0.73) PTGS1PTGS2
SCHEMBL14497488 0.77 PTGS1 (0.81) PTGS1PTGS2
SCHEMBL14497486 0.76 PTGS1 (0.63) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149591-A1 Compositions of a cyclooxygenase-2 selective inhibitor administered under hypothermic conditions for the treatment of ischemic mediated central nervous system disorders or injury STEPHENSON DIANE T 2007-06-28 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-20070149591-A1 Compositions of a cyclooxygenase-2 selective inhibitor administered under hypothermic conditions for the treatment of ischemic mediated central nervous system disorders or injury PTGS2, PTGS1, PTGES2 PTGS1 2/4885PTGS2 1/4885POLB 1054/4885

“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.