SCHEMBL20021985

SCHEMBL20021985

CCCCN(CCCC)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.60
SLC6A4 P31645 2/20 0.60
KCNH2 Q12809 2/20 0.60
SLC6A3 Q01959 1/20 0.60
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
VCAM1 P19320 2/20 0.53
CNR2 P34972 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MMP1 P03956 1/20 0.51
MMP7 P09237 1/20 0.51
ACE P12821 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL8911305 0.94 SLC6A2 (0.54) SLC6A2SLC6A4KCNH2SLC6A3POLB
SCHEMBL11654012 0.86 SMN1; SMN2 (0.55) SLC6A2SLC6A4KCNH2SLC6A3POLB
SCHEMBL14320162 0.86 SLC6A2 (0.58) SLC6A2SLC6A4KCNH2SLC6A3POLB
SCHEMBL20021989 0.83 CNR2 (0.62) SLC6A2SLC6A4SMN1; SMN2CNR2NPC1
SCHEMBL20930272 0.80 VCAM1 (0.50) SLC6A2SLC6A4KCNH2SLC6A3POLB
SCHEMBL20930273 0.80 VCAM1 (0.50) SLC6A2SLC6A4KCNH2SLC6A3POLB
SCHEMBL2057475 0.80 TDP1 (0.73) POLBSMN1; SMN2VCAM1CNR2RAB9A
SCHEMBL13508442 0.79 PPARG (0.51) SLC6A2SLC6A4KCNH2SLC6A3CNR2
SCHEMBL13508498 0.79 PTGES (0.54) POLBSMN1; SMN2CNR2RAB9AKDM4E
SCHEMBL6348532 0.78 SERPINE1 (0.56) POLBSMN1; SMN2VCAM1RAB9AL3MBTL1

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-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 US disclosed
US-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 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-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND LDLR, APOB, NR1H2 SLC6A2 1650/4885SLC6A4 2911/4885KCNH2 4495/4885

“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.