SCHEMBL5848413

SCHEMBL5848413

CN1CC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccccc2)C1=O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.71
PTGS1 P23219 17/20 0.71
ABCB11 O95342 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MT-CO2 P00403 1/20 0.59
HTR1A P08908 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
MC4R P32245 1/20 0.59

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
SCHEMBL5849697 1.00 PTGS2 (0.71) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL5849738 0.89 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5849420 0.87 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5847991 0.87 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5848456 0.87 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5849679 0.87 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5848022 0.87 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5848466 0.87 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5848659 0.87 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5848703 0.85 PTGS2 (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112605-B2 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof Research Institute of Materia Medica Chinese Acadamy of Medical Sciences (CN) 2006-09-26 US claimed
US-7112605-B2 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof Research Institute of Materia Medica Chinese Acadamy of Medical Sciences (CN) 2006-09-26 US disclosed
US-20040029951-A1 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof RESEARCH INSTITUTE OF MATERIAL MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES; 2004-02-12 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-20040029951-A1 Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof PTGS1, PTGS2, PTGER1 PTGS2 2/4885PTGS1 1/4885ABCB11 1032/4885

“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.