SCHEMBL215543

SCHEMBL215543

CC1(C)C=C(c2ccc(F)cc2)C(c2ccccc2S(C)(=O)=O)=C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.49
PTGS1 P23219 3/20 0.47
ALOX5 P09917 1/20 0.44
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
HSD11B1 P28845 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.36
MAOA P21397 1/20 0.36
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL8621773 0.87 PTGS2 (0.48) PTGS2PTGS1ALOX5APFEN1HSD11B1
SCHEMBL6904881 0.80 PTGS2 (0.68) PTGS2PTGS1ALOX5ALOX5APFEN1
SCHEMBL851339 0.79 PTGS2 (0.71) PTGS2PTGS1
Sulfamide SCHEMBL4639024 0.77 PTGS2 (0.45) PTGS2PTGS1MAOA
SCHEMBL7515254 0.77 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5668728 0.76 PTGS1 (0.41) PTGS2PTGS1ALOX5ALDH1A1POLB
SCHEMBL8974381 0.71 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL9744628 0.71 PTGS2 (0.37) PTGS2PTGS1KDM4EALDH1A1
SCHEMBL214628 0.71 PTGS2 (0.56) PTGS2PTGS1MAOA
SCHEMBL6050700 0.71 PTGS2 (0.55) PTGS2PTGS1ALOX5HSD11B1KDM4E

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-8088814-B2 Administering a cyclooxygenase inhibitor; treating schizophrenia, delusional disorders, affective disorders, autism or tic disorders MUELLER NORBERT (DE) 2012-01-03 US disclosed
US-20030130334-A1 Methods and compositions for the treatment of psychiatric disorders MULLER NORBERT 2003-07-10 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-20030130334-A1 Methods and compositions for the treatment of psychiatric disorders TPH2, MAOB, PTGS2 PTGS2 3/4885PTGS1 15/4885ALOX5 46/4885

“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.