SCHEMBL19962152

SCHEMBL19962152

CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NS(=O)(=O)CS(=O)(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc2scnc2c1)c1ccc2scnc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.34
NPC1 O15118 5/20 0.32
RAB9A P51151 5/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
SYK P43405 2/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
RIPK2 O43353 2/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
RIPK1 Q13546 1/20 0.31
RIPK3 Q9Y572 1/20 0.31
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL19969161 0.94 PDE10A (0.31) PDE10ATAS1R3TAS1R1
SCHEMBL19969339 0.92 SYK (0.34) PDE10ANPC1RAB9ATAS1R3TAS1R1
SCHEMBL19962082 0.92 SYK (0.34) PDE10ANPC1RAB9ATAS1R3TAS1R1
SCHEMBL19969193 0.92 PDE10A (0.31) PDE10A
SCHEMBL19969237 0.92 PDE10A (0.31) PDE10A
SCHEMBL19962073 0.88 PDE10A (0.30) PDE10A
SCHEMBL19969198 0.87 SYK (0.31) PDE10ASYKALOX5APFEN1
SCHEMBL18180271 0.87 SYK (0.31) PDE10ASYKALOX5APFEN1
SCHEMBL19969220 0.86 PDE10A (0.34) PDE10ANPC1RAB9ATAS1R3TAS1R1
SCHEMBL19962081 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 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 (1 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E PDE10A 2805/4885NPC1 273/4885RAB9A 1767/4885

“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.