SCHEMBL5848464

SCHEMBL5848464

CS(=O)(=O)c1ccc(C(O)CNC2CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ADRB2 P07550 5/20 0.49
BCHE P06276 1/20 0.47
ADRB3 P13945 5/20 0.46
ADRB1 P08588 4/20 0.46
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL23229927 0.82 ADRB3 (0.63) KDM4EADRB2BCHEADRB3ADRB1
SCHEMBL5850252 0.79 ADRB2 (0.55) KDM4EADRB2BCHEADRB3KMT2A
SCHEMBL5847929 0.79 KDM4E (0.59) KDM4EADRB2ADRB3ADRB1KMT2A
SCHEMBL5850142 0.76 ADRB2 (0.55) KDM4EADRB2BCHE
SCHEMBL5848437 0.76 ADRB2 (0.55) KDM4EADRB2BCHEADRB3ADRB1
SCHEMBL5849674 0.76 ADRB2 (0.55) KDM4EADRB2BCHE
SCHEMBL11669969 0.74 ADRB2 (0.54) KDM4EADRB2BCHEADRB3ADRB1
SCHEMBL5848444 0.74 LMNA (0.45) KDM4EADRB2ADRB3ADRB1KMT2A
Hydrochloric Acid SCHEMBL14126826 0.74 KDM4E (0.71) KDM4EADRB2
Bromide SCHEMBL11672883 0.73 ADRB3 (0.43) KDM4EADRB2BCHEADRB3ADRB1

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 4 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 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
CN-1134413-C Sulfonyl-containing pyrrolidone compound and preparation method and pharmaceutical application thereof 诺瓦提斯公司 2004-01-14 CN disclosed
CN-1318541-A Sulfonyl-containing pyrrolidone compound and preparation method and pharmaceutical application thereof INST OF PHARMACOLOGY CHINESE A (CN) 2001-10-24 CN 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 KDM4E 1122/4885ADRB2 768/4885BCHE 3391/4885

“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.