SCHEMBL20021998

SCHEMBL20021998

CC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
POLB P06746 1/20 0.64
ADAMTS4 O75173 4/20 0.64
MMP2 P08253 7/20 0.60
MMP9 P14780 4/20 0.60
MMP3 P08254 2/20 0.60
MMP13 P45452 2/20 0.60
MMP1 P03956 1/20 0.60
MMP7 P09237 1/20 0.60
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL29222859 0.93 ALDH1A1 (0.60) ALDH1A1POLBADAMTS4MMP2MMP9
SCHEMBL29222887 0.91 ALDH1A1 (0.58) ALDH1A1POLBADAMTS4MMP2MMP9
SCHEMBL31124612 0.89 MMP2 (0.58) ALDH1A1POLBADAMTS4MMP2MMP9
SCHEMBL29223118 0.89 CNR1 (0.58) ALDH1A1POLBADAMTS4MMP2MMP9
SCHEMBL3759433 0.89 ALDH1A1 (0.73) ALDH1A1POLBMMP2CA12CA2
SCHEMBL28426090 0.89 ALDH1A1 (0.73) ALDH1A1POLBMMP2CA12CA2
Hydrochloric Acid SCHEMBL8123779 0.87 ALDH1A1 (0.71) ALDH1A1POLBMMP2CA12CA2
SCHEMBL14619788 0.86 ALDH1A1 (0.69) ALDH1A1POLBMMP2MMP9MMP3
SCHEMBL28423968 0.86 ALDH1A1 (0.69) ALDH1A1POLBMMP2MMP9MMP3
SCHEMBL3757552 0.85 ALDH1A1 (0.68) ALDH1A1POLBADAMTS4MEN1KMT2A

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 ALDH1A1 3152/4885POLB 2195/4885ADAMTS4 4303/4885

“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.