SCHEMBL5847978

SCHEMBL5847978

CCCNS(=O)(=O)c1ccc(C2=C(c3cccc(Cl)c3)CNC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ TBXA2R P21731 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37

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
SCHEMBL5850188 0.95 MMP1 (0.41) PTGS2CA12CA1CA2CA9
SCHEMBL5848434 0.88 PTGS2 (0.46) PTGS2CA12CA1CA2CA9
SCHEMBL5850219 0.88 TP53 (0.43) PTGS2CA12CA1CA2CA9
SCHEMBL5848614 0.88 CA12 (0.40) PTGS2CA12CA1CA2CA9
SCHEMBL5848712 0.83 MMP2 (0.40) CA12CA1CA2CA9HTR2C
SCHEMBL5849861 0.81 ALDH1A1 (0.46) PTGS2CA12CA1CA2CA9
SCHEMBL5849888 0.76 MMP1 (0.41) BRD4MMP1MMP2MMP3MMP7
SCHEMBL28717153 0.68 CA12 (0.64) CA12CA1CA2CA9LMNA
SCHEMBL11883523 0.68 CA1 (0.68) CA12CA1CA2CA9L3MBTL1
SCHEMBL14369569 0.68 CA12 (0.49) PTGS2CA12CA1CA2CA9

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 2/4885CA12 3473/4885CA1 1798/4885

“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.

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