SCHEMBL19969220

SCHEMBL19969220

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.34
FOLH1 Q04609 3/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
SYK P43405 3/20 0.33
PYGL P06737 1/20 0.33
FFAR1 O14842 1/20 0.33
HSD11B1 P28845 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
KDR P35968 1/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MMP3 P08254 1/20 0.32

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
SCHEMBL18181433 0.97 HDAC4 (0.33) PDE10AFOLH1TAS1R3TAS1R1SYK
SCHEMBL18181115 0.94 PDE10A (0.33) PDE10ATAS1R3TAS1R1SYKPYGL
SCHEMBL16670170 0.93 FFAR1 (0.34) PDE10ATAS1R3TAS1R1SYKPYGL
SCHEMBL18180300 0.92 NOS2 (0.36) PDE10ATAS1R3TAS1R1SYKPYGL
SCHEMBL21992753 0.92 SYK (0.32) PDE10ATAS1R3TAS1R1SYKPYGL
SCHEMBL18180352 0.91 PDE10A (0.31) PDE10A
SCHEMBL18181067 0.91 SYK (0.31) PDE10ASYKKDM1AMAOA
SCHEMBL20782939 0.91 PDE10A (0.31) PDE10A
SCHEMBL18181173 0.91 PDE10A (0.31) PDE10A
SCHEMBL18179993 0.91 TAS1R3 (0.34) PDE10ATAS1R3TAS1R1SYKPYGL

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 1 patent. 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

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 2805/4885FOLH1 3511/4885TAS1R3 4630/4885

“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.