SCHEMBL20026077

SCHEMBL20026077

O=S(=O)(NCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 7/20 0.70
NPY5R Q15761 2/20 0.64
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
SCN1A P35498 2/20 0.56
SCN2A Q99250 2/20 0.56
SCN3A Q9NY46 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KEAP1 Q14145 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
MAPK1 P28482 1/20 0.54
CCR8 P51685 1/20 0.53
MCL1 Q07820 1/20 0.52

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
SCHEMBL7457681 0.89 NPY5R (0.64) NSD2NPY5RCA9SCN1ASCN2A
SCHEMBL1684841 0.87 TSHR (0.65) NSD2NPY5RCA12CA9CCR8
SCHEMBL8890912 0.85 NPY5R (0.64) NSD2NPY5RCA9SCN1ASCN2A
SCHEMBL29162296 0.84 NSD2 (0.73) NSD2NPY5RALDH1A1KDM4E
SCHEMBL8913909 0.84 KMT2A (0.66) NSD2NPY5RCYP3A4MAPK1
SCHEMBL4487552 0.84 NSD2 (0.63) NSD2NPY5RCA12CA9ALDH1A1
SCHEMBL3701345 0.84 NSD2 (0.72) NSD2SCN1ASCN2ASCN3AALDH1A1
Hydrochloric Acid SCHEMBL4493664 0.83 NSD2 (0.64) NSD2NPY5RCA12CA9SCN1A
SCHEMBL4441197 0.83 NSD2 (1.00) NSD2NPY5R
SCHEMBL4483905 0.83 NSD2 (0.69) NSD2CA12CA9ALDH1A1KDM4E

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 1 patent. 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

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 NSD2 4015/4885NPY5R 4379/4885CA12 4873/4885

“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.