SCHEMBL5565703

SCHEMBL5565703

CC1(C)CC(c2ccc(Cl)cc2)=C(c2ccccc2S(N)(=O)=O)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.56
PTGS1 P23219 6/20 0.56
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 1/20 0.41
F10 P00742 4/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 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
Sulfamide SCHEMBL4638163 0.83 PTGS2 (0.65) PTGS2PTGS1RAB9ACA2CA9
SCHEMBL212969 0.80 PTGS2 (0.74) PTGS2PTGS1CA2CA9
SCHEMBL28362934 0.77 PTGS2 (0.68) PTGS2PTGS1KDM4EALDH1A1RAB9A
SCHEMBL8661275 0.75 PTGS2 (0.69) PTGS2PTGS1KDM4EALDH1A1RAB9A
SCHEMBL1930784 0.72 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL9012559 0.71 PTGS2 (0.47) PTGS2PTGS1ALOX5APFEN1
SCHEMBL9012900 0.71 PTGS2 (0.47) PTGS2PTGS1F10
SCHEMBL9012731 0.71 PTGS2 (0.44) PTGS2PTGS1CA2
SCHEMBL6197202 0.70 PTGS2 (0.72) PTGS2PTGS1MAPT
SCHEMBL9012903 0.69 PTGS2 (0.44) PTGS2PTGS1PTGES2CA2CA9

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 PTGS2 1/4885PTGS1 2/4885KDM4E 4430/4885

“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.