SCHEMBL16669778

SCHEMBL16669778

CN(C(=O)C(Cc1ccccc1)NC(=O)O)c1ccc2scnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
PYGL P06737 6/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MMP3 P08254 1/20 0.38
RAB9A P51151 1/20 0.38
ACE P12821 1/20 0.38
CLK1 P49759 2/20 0.37
CLK2 P49760 2/20 0.37
DYRK1A Q13627 2/20 0.37
DYRK2 Q92630 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
DYRK4 Q9NR20 2/20 0.37
DYRK1B Q9Y463 2/20 0.37

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
SCHEMBL18180172 0.89 ALDH1A1 (0.46) PYGLRAB9A
SCHEMBL18180219 0.89 ALDH1A1 (0.46) PYGLRAB9A
SCHEMBL16670170 0.89 FFAR1 (0.34) KDM1AMAOAPYGLKDRPDE10A
SCHEMBL16682072 0.87 ACE (0.48) KDM1AMAOAACE
SCHEMBL21992565 0.87 ACE (0.48) KDM1AMAOAACE
SCHEMBL28632707 0.86 ALDH1A1 (0.44) PYGLRAB9A
SCHEMBL19969158 0.86 PYGL (0.38) MMP9MMP8MMP14KDM1AMAOA
SCHEMBL18180279 0.86 PYGL (0.38) MMP9MMP8MMP14KDM1AMAOA
SCHEMBL28636566 0.86 ALDH1A1 (0.44) PYGLRAB9A
SCHEMBL18179970 0.86 MMP3 (0.37) MMP9MMP8MMP14KDM1AMAOA

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 4 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-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
EP-3060554-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-08-31 EP 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 1726/4885MMP14 1807/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E MMP9 2622/4885MMP8 1954/4885MMP14 1887/4885

“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.