SCHEMBL215434

SCHEMBL215434

CC1(C)CC(c2ccc(Cl)cc2)=C(c2ccc(S(C)(=O)=O)cc2I)C1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.71
PTGS1 P23219 9/20 0.71

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
SCHEMBL1930784 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL212969 0.74 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL6045043 0.74 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL6197202 0.73 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8384120 0.71 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8383722 0.71 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL214775 0.69 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8386083 0.69 PTGS2 (0.88) PTGS2PTGS1
SCHEMBL8383967 0.69 PTGS2 (0.88) PTGS2PTGS1
SCHEMBL8993552 0.69 PTGS2 (0.69) 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 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 15/4885

“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.