SCHEMBL5848610

SCHEMBL5848610

CCCN1CC(c2cccc(Br)c2)=C(c2ccc(S(N)(=O)=O)cc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.52
PTGS1 P23219 4/20 0.51
CA12 O43570 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
CA1 P00915 3/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CDK2 P24941 1/20 0.38

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
SCHEMBL5848723 0.95 PTGS2 (0.47) PTGS2PTGS1CA12CA2CA9
SCHEMBL5848706 0.91 PTGS2 (0.45) PTGS2PTGS1CA12CA2CA9
SCHEMBL5850216 0.87 PTGS2 (0.52) PTGS2PTGS1L3MBTL1
SCHEMBL5847976 0.87 PTGS2 (0.52) PTGS2PTGS1CA12CA2CA9
SCHEMBL5850196 0.82 PTGS2 (0.47) PTGS2PTGS1CA12CA2CA9
SCHEMBL5848426 0.81 PTGS2 (0.61) PTGS2PTGS1CA12CA2CA9
SCHEMBL5849857 0.81 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5848442 0.79 PTGS2 (0.44) PTGS2PTGS1CA12CA2CA9
SCHEMBL5850185 0.79 PTGS2 (0.45) PTGS2PTGS1CA12CA2CA9
SCHEMBL5847947 0.77 PTGS2 (0.64) 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 1/4885CA12 3473/4885

“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.