SCHEMBL3701072

SCHEMBL3701072

CCCCN(CCCC)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GLA P06280 1/20 0.51
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR7 P34969 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
SLC6A9 P48067 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL8915849 0.94 TSHR (0.50) TSHRMEN1KMT2AGLAKEAP1
SCHEMBL20314709 0.86 HTR2A (0.47) TSHRKEAP1NFE2L2TDP1CYP1A2
SCHEMBL14415467 0.84 HTT (0.54) TSHRMEN1KMT2AKEAP1NFE2L2
SCHEMBL13979927 0.83 HTT (0.64) TSHRMEN1KMT2AKEAP1NFE2L2
SCHEMBL10980097 0.83 TSHR (0.55) TSHRMEN1KMT2AGLAHTT
Hydrochloric Acid SCHEMBL27202567 0.82 CA1 (0.45) TSHRMEN1KMT2AKEAP1NFE2L2
SCHEMBL16558053 0.81 KEAP1 (0.60) TSHRMEN1KMT2AKEAP1NFE2L2
SCHEMBL8532341 0.81 CYP1A2 (0.74) TSHRMEN1KMT2AGLATDP1
SCHEMBL30275401 0.81 CYP1A2 (0.74) TSHRMEN1KMT2AGLATDP1
SCHEMBL7326395 0.79 TSHR (0.51) TSHRMEN1KMT2AGLAHIF1A

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 3 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
US-20120118616-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, POLYIMIDE RESIN FILM USING SAME, AND FLEXIBLE PRINTED CIRCUIT BOARD SUMITOMO ELECTRIC PRINTED CIRCUITS, INC. (JP) 2012-05-17 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 TSHR 1808/4885MEN1 4593/4885KMT2A 4002/4885

“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.