SCHEMBL20007636

SCHEMBL20007636

CN(C(=O)C(Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)Nc1ccccc1)c1ccc2scnc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34
PTPRB P23467 3/20 0.33
PDE10A Q9Y233 2/20 0.33
KDR P35968 1/20 0.33
PYGL P06737 1/20 0.32
NPY1R P25929 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MMP3 P08254 1/20 0.31
JAK3 P52333 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL18181128 1.00 MAPK1 (0.34) MAPK1MAPTPTPRBPDE10AKDR
SCHEMBL18181071 0.93 ALDH1A1 (0.37) MAPK1MAPTPDE10ANPC1RAB9A
SCHEMBL18181431 0.92 NAMPT (0.40) MEN1KMT2ANAMPT
SCHEMBL20007365 0.92 MEN1 (0.35) MAPK1MAPTNPY1RMEN1NPC1
SCHEMBL18181118 0.92 MEN1 (0.35) MAPK1MAPTNPY1RMEN1NPC1
SCHEMBL20007601 0.91 NTRK1 (0.34) MAPK1PDE10AALDH1A1SMN1; SMN2NPSR1
SCHEMBL18181165 0.91 NTRK1 (0.34) MAPK1PDE10AALDH1A1SMN1; SMN2NPSR1
SCHEMBL20007366 0.90 PDE10A (0.32) PDE10APYGLALOX5APFEN1
SCHEMBL18181268 0.90 PDE10A (0.32) PDE10APYGLALOX5APFEN1
SCHEMBL19999847 0.90 CA12 (0.40) PDE10AKDRPYGLCA12CA1

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
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 EP disclosed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 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 (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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H MAPK1 1795/4885MAPT 1607/4885PTPRB 3112/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H MAPK1 1795/4885MAPT 1607/4885PTPRB 3112/4885

“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.