SCHEMBL20021984

SCHEMBL20021984

O=S(=O)(Nc1ccc(Br)cc1)c1ccc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.72
PGR P06401 2/20 0.68
SMN1; SMN2 Q16637 3/20 0.66
LMNA P02545 2/20 0.66
ALDH1A1 P00352 3/20 0.65
GAA P10253 1/20 0.65
PKM P14618 3/20 0.64
PKLR P30613 1/20 0.64
KMT2A Q03164 7/20 0.63
MEN1 O00255 6/20 0.63
HDAC1 Q13547 1/20 0.61
MAPT P10636 2/20 0.59
ALOX12 P18054 1/20 0.58
PLAU P00749 2/20 0.58
HTT P42858 1/20 0.57
AKT1 P31749 1/20 0.56

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
SCHEMBL20021987 0.86 PGR (0.77) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL29549847 0.86 PGR (0.77) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL28396503 0.86 PGR (0.77) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL9479593 0.84 PGR (0.73) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL9942088 0.84 ATM (0.72) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL808105 0.84 ATM (0.72) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL8752432 0.81 PLAU (0.76) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL27790749 0.81 ATM (0.73) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL15480550 0.81 LMNA (0.73) ATMPGRSMN1; SMN2LMNAALDH1A1
SCHEMBL9942091 0.81 ATM (0.68) ATMPGRSMN1; SMN2LMNAALDH1A1

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 ATM 2000/4885PGR 2048/4885SMN1; SMN2 4681/4885

“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.