SCHEMBL20021983

SCHEMBL20021983

O=S(=O)(c1cccc2ccccc12)N1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
POLB P06746 2/20 0.62
ATM Q13315 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
TSHR P16473 2/20 0.60
NPC1 O15118 1/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 2/20 0.56
GAA P10253 2/20 0.54
GLA P06280 1/20 0.54
HPGD P15428 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CNR1 P21554 2/20 0.54

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
SCHEMBL8564336 0.88 MEN1 (0.83) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL7216688 0.85 KMT2A (0.97) KMT2AMEN1ATMTSHRKDM4E
SCHEMBL1063351 0.83 KMT2A (1.00) KMT2AMEN1ATMTSHRKDM4E
SCHEMBL5880488 0.83 PRKD3 (0.72) KMT2AMEN1L3MBTL1TSHRKDM4E
SCHEMBL2952847 0.81 MAPT (0.71) KMT2AMEN1TSHRALDH1A1SMN1; SMN2
SCHEMBL13788913 0.81 KMT2A (0.63) KMT2AMEN1POLBATMTDP1
SCHEMBL6568319 0.81 MEN1 (0.71) KMT2AMEN1TSHRALDH1A1SMN1; SMN2
SCHEMBL2960623 0.81 MEN1 (0.71) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL28101066 0.80 KMT2A (0.50) KMT2AMEN1POLBATMTDP1
SCHEMBL14919477 0.78 MEN1 (0.68) KMT2AMEN1TSHRSMN1; SMN2MAPT

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 KMT2A 4002/4885MEN1 4593/4885POLB 2195/4885

“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.