SCHEMBL20021986

SCHEMBL20021986

CC(C)N(C(C)C)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.56
HTR6 P50406 4/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
VCAM1 P19320 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
BCL2L1 Q07817 2/20 0.46

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
SCHEMBL14294227 0.84 NPC1 (0.56) HTR2CHTR6NPC1RAB9ALMNA
SCHEMBL29964126 0.81 NPC1 (0.61) HTR2CHTR6NPC1RAB9ALMNA
SCHEMBL29212110 0.81 NPC1 (0.61) HTR2CHTR6NPC1RAB9ALMNA
SCHEMBL10449076 0.78 LMNA (0.58) HTR2CHTR6NPC1RAB9ALMNA
SCHEMBL11507803 0.77 LMNA (0.57) HTR2CHTR6NPC1RAB9ALMNA
SCHEMBL2625200 0.77 LMNA (0.57) HTR2CHTR6NPC1RAB9ALMNA
SCHEMBL10870619 0.76 L3MBTL1 (0.61) HTR2CHTR6NPC1RAB9ALMNA
SCHEMBL20021989 0.76 CNR2 (0.62) NPC1RAB9ALMNAL3MBTL1SLC6A2
SCHEMBL4613713 0.76 APOBEC3G (0.54) HTR6VCAM1MEN1KMT2ASMN1; SMN2
SCHEMBL8905441 0.76 LMNA (0.55) HTR2CHTR6NPC1RAB9ALMNA

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 HTR2C 4103/4885HTR6 1864/4885NPC1 12/4885

“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.