SCHEMBL20131063

SCHEMBL20131063

CCC(C)N[C@H]1c2ccccc2C[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 7/20 0.47
MMP1 P03956 5/20 0.47
MMP2 P08253 5/20 0.47
MMP8 P22894 5/20 0.47
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
NAMPT P43490 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
ADAMTS4 O75173 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38

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
SCHEMBL18893525 0.88 MMP9 (0.46) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL18893378 0.88 MMP9 (0.46) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL14017828 0.84 MMP9 (0.48) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL20131094 0.84 MMP9 (0.48) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL21843955 0.84 MMP9 (0.48) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL13167423 0.84 MMP9 (0.48) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL7750033 0.84 MMP9 (0.48) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL13039794 0.84 MMP9 (0.48) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL23420183 0.78 MMP9 (0.52) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL24946114 0.78 MMP9 (0.43) MMP9MMP1MMP2MMP8PSEN1

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-10995064-B2 Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2021-05-04 US disclosed
US-20210024462-A1 SULFAMOYL-ARYLAMIDES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-01-28 US disclosed
US-20180127361-A1 SULFAMOYL-ARYLAMIDES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-05-10 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 (3 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-20180127361-A1 SULFAMOYL-ARYLAMIDES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B SULT2A1, HCCS, SULT1A1 MMP9 3479/4885MMP1 4210/4885MMP2 3231/4885
US-10995064-B2 Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of hepatitis B SULT2A1, HCCS, SULT1A1 MMP9 3479/4885MMP1 4210/4885MMP2 3231/4885
US-20210024462-A1 SULFAMOYL-ARYLAMIDES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B SULT2A1, HCCS, SULT1A1 MMP9 3479/4885MMP1 4210/4885MMP2 3231/4885

“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.