SCHEMBL13675349

SCHEMBL13675349

CCc1ccccc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.67
DRD1 P21728 1/20 0.55
PTGS1 P23219 1/20 0.51
LOX P28300 1/20 0.48

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
SCHEMBL5723494 0.87 PTGS2 (0.65) PTGS2DRD1PTGS1
SCHEMBL8604437 0.84 PTGS2 (0.61) PTGS2DRD1PTGS1
SCHEMBL29155280 0.84 ALDH1A1 (0.47) PTGS2DRD1PTGS1LOX
SCHEMBL27573095 0.84 CA2 (0.64) PTGS2DRD1PTGS1
SCHEMBL8604252 0.83 PTGS2 (0.59) PTGS2DRD1PTGS1
SCHEMBL6048541 0.83 PTGS2 (0.59) PTGS2DRD1PTGS1
Hydrochloric Acid SCHEMBL6048552 0.82 PTGS2 (0.57) PTGS2DRD1PTGS1
SCHEMBL9890741 0.80 PTGS2 (0.56) PTGS2DRD1PTGS1
SCHEMBL5502727 0.80 PTGS2 (1.00) PTGS2PTGS1
Hydrogen Sulfide SCHEMBL27744400 0.79 PTGS2 (0.96) 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-20090270381-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2009-10-29 US disclosed
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 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-20090270381-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 PTGS2 48/4885DRD1 3528/4885PTGS1 21/4885
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 PTGS2 72/4885DRD1 2883/4885PTGS1 16/4885

“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.