SCHEMBL5848447

SCHEMBL5848447

CCCNCC(O)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.53
LMNA P02545 2/20 0.53
GALR3 O60755 1/20 0.53
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRB2 P07550 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD1 P21728 1/20 0.44
HTR7 P34969 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL20819603 0.91 HIF1A (0.50) HIF1ALMNAGALR3ADRB1ADRB3
SCHEMBL30956698 0.91 HIF1A (0.50) HIF1ALMNAGALR3ADRB1ADRB3
SCHEMBL30956726 0.91 HIF1A (0.50) HIF1ALMNAGALR3ADRB1ADRB3
SCHEMBL10875706 0.91 HIF1A (0.50) HIF1ALMNAGALR3ADRB1ADRB3
SCHEMBL2293713 0.87 HIF1A (0.69) HIF1ALMNAGALR3ADRB1ADRB3
SCHEMBL2291633 0.87 HIF1A (0.69) HIF1ALMNAGALR3ADRB1ADRB3
SCHEMBL27711232 0.87 HIF1A (0.69) HIF1ALMNAGALR3ADRB1ADRB3
Benzene SCHEMBL27711271 0.86 HIF1A (0.67) HIF1ALMNAGALR3ADRB1ADRB3
Benzene SCHEMBL27711278 0.86 HIF1A (0.67) HIF1ALMNAGALR3ADRB1ADRB3
SCHEMBL12186420 0.86 HIF1A (0.46) HIF1ALMNAGALR3ADRB1ADRB3

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 HIF1A 719/4885LMNA 2751/4885GALR3 2829/4885

“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.