SCHEMBL16681990

SCHEMBL16681990

Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc2ncsc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
PDE10A Q9Y233 3/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
JAK3 P52333 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
MAPK1 P28482 1/20 0.37
FBP1 P09467 1/20 0.36
CLK1 P49759 2/20 0.36
CLK2 P49760 2/20 0.36
DYRK1A Q13627 2/20 0.36
DYRK2 Q92630 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DYRK4 Q9NR20 2/20 0.36
DYRK1B Q9Y463 2/20 0.36

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
SCHEMBL18041077 1.00 MMP1 (0.46) MMP1MMP2MMP9MMP8PDE10A
SCHEMBL16681997 0.93 MMP9 (0.46) MMP1MMP2MMP9MMP8PDE10A
SCHEMBL18041039 0.93 MMP9 (0.46) MMP1MMP2MMP9MMP8PDE10A
SCHEMBL20427754 0.92 MMP1 (0.40) MMP1MMP2MMP9MMP8PDE10A
SCHEMBL16670966 0.86 MMP9 (0.46) MMP1MMP2MMP9MMP8MAPT
SCHEMBL16670963 0.86 MMP9 (0.46) MMP1MMP2MMP9MMP8MAPT
SCHEMBL16682001 0.85 MMP2 (0.39) MMP1MMP2MMP9MMP8PDE10A
SCHEMBL18041063 0.85 MMP2 (0.39) MMP1MMP2MMP9MMP8PDE10A
SCHEMBL20427640 0.85 MMP1 (0.40) MMP1MMP2MMP9MMP8PDE10A
SCHEMBL16670532 0.85 MMP1 (0.45) MMP1MMP2MMP9MMP8MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
WO-2015061518-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-30 WO 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 (2 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-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR1E, POLR1G MMP1 3144/4885MMP2 1544/4885MMP9 2601/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E MMP1 3205/4885MMP2 1711/4885MMP9 2622/4885

“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.