SCHEMBL16681997

SCHEMBL16681997

Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc2scnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.46
MMP8 P22894 4/20 0.46
MMP1 P03956 3/20 0.46
MMP2 P08253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FBP1 P09467 1/20 0.36
GAA P10253 2/20 0.36
MMP3 P08254 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
ALKBH2 Q6NS38 1/20 0.35
ALKBH3 Q96Q83 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE10A Q9Y233 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL18041039 1.00 MMP9 (0.46) MMP9MMP8MMP1MMP2SMN1; SMN2
SCHEMBL18041077 0.93 MMP1 (0.46) MMP9MMP8MMP1MMP2MAPK1
SCHEMBL16681990 0.93 MMP1 (0.46) MMP9MMP8MMP1MMP2MAPK1
SCHEMBL18041063 0.92 MMP2 (0.39) MMP9MMP8MMP1MMP2SMN1; SMN2
SCHEMBL16682001 0.92 MMP2 (0.39) MMP9MMP8MMP1MMP2SMN1; SMN2
SCHEMBL20427640 0.92 MMP1 (0.40) MMP9MMP8MMP1MMP2SMN1; SMN2
SCHEMBL16669862 0.87 MMP1 (0.48) MMP9MMP8MMP1MMP2SMN1; SMN2
SCHEMBL16669861 0.87 MMP1 (0.48) MMP9MMP8MMP1MMP2SMN1; SMN2
SCHEMBL18179970 0.86 MMP3 (0.37) MMP9MMP8ALDH1A1MMP3KDM1A
SCHEMBL19969227 0.86 MMP3 (0.37) MMP9MMP8ALDH1A1MMP3KDM1A

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 MMP9 2601/4885MMP8 1726/4885MMP1 3144/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E MMP9 2622/4885MMP8 1954/4885MMP1 3205/4885

“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.