SCHEMBL5848672

SCHEMBL5848672

CCCNCC(O)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.55
ADRB1 P08588 10/20 0.55
LMNA P02545 2/20 0.54
HIF1A Q16665 1/20 0.53
GALR3 O60755 1/20 0.53
ADRB2 P07550 3/20 0.52
SLC2A1 P11166 1/20 0.51

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
SCHEMBL19329740 0.91 ADRB3 (0.53) ADRB3ADRB1LMNAHIF1AGALR3
SCHEMBL12186418 0.87 ADRB3 (0.57) ADRB3ADRB1LMNAADRB2
SCHEMBL10876266 0.87 LMNA (0.69) ADRB3ADRB1LMNAHIF1AGALR3
SCHEMBL16552549 0.85 SLC6A2 (0.43) ADRB3ADRB1LMNAADRB2SLC2A1
SCHEMBL11748376 0.84 ADRB3 (0.55) ADRB3ADRB1LMNAADRB2
SCHEMBL8424936 0.84 ADRB3 (0.55) ADRB3ADRB1LMNAADRB2
SCHEMBL12186388 0.83 ADRB3 (0.57) ADRB3ADRB1LMNAHIF1AGALR3
SCHEMBL5848382 0.81 HIF1A (0.53) ADRB3ADRB1LMNAHIF1AGALR3
SCHEMBL5848447 0.81 HIF1A (0.53) ADRB3ADRB1LMNAHIF1AGALR3
SCHEMBL27562212 0.81 LMNA (0.56) ADRB3ADRB1LMNAHIF1AGALR3

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-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 ADRB3 587/4885ADRB1 881/4885LMNA 2751/4885

“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.