SCHEMBL20021982

SCHEMBL20021982

O=S(=O)(c1ccc2ccccc2c1)N1CCOCC1

nearest known ligand 0.89

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.89
KMT2A Q03164 4/20 0.89
TSHR P16473 3/20 0.89
MEN1 O00255 3/20 0.89
MCOLN3 Q8TDD5 3/20 0.71
KDM4E B2RXH2 2/20 0.69
HSD17B10 Q99714 2/20 0.69
CASP1 P29466 1/20 0.69
SMN1; SMN2 Q16637 5/20 0.64
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64
LMNA P02545 4/20 0.64
POLB P06746 1/20 0.62
GAA P10253 1/20 0.62
PKLR P30613 1/20 0.61
HTT P42858 1/20 0.61

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
SCHEMBL29483657 1.00 PKM (0.89) PKMKMT2ATSHRMEN1MCOLN3
SCHEMBL18134604 0.88 MCOLN3 (0.83) PKMKMT2ATSHRMEN1MCOLN3
SCHEMBL3169939 0.85 MCOLN3 (0.97) PKMKMT2ATSHRMEN1MCOLN3
SCHEMBL3814970 0.83 MCOLN3 (1.00) PKMKMT2ATSHRMEN1MCOLN3
SCHEMBL30821997 0.83 MCOLN3 (1.00) PKMKMT2ATSHRMEN1MCOLN3
SCHEMBL8062135 0.82 KMT2A (0.63) PKMKMT2ATSHRMEN1KDM4E
SCHEMBL10167567 0.81 TSHR (0.61) PKMKMT2ATSHRMEN1KDM4E
SCHEMBL8064667 0.81 KMT2A (0.61) PKMKMT2ATSHRMEN1KDM4E
SCHEMBL15014129 0.81 PKM (0.89) PKMKMT2ATSHRMEN1MCOLN3
SCHEMBL12655865 0.81 MCOLN3 (0.71) PKMKMT2ATSHRMEN1MCOLN3

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 PKM 4241/4885KMT2A 4002/4885TSHR 1808/4885

“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.