SCHEMBL19962016

SCHEMBL19962016

CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)CN1c2ccccc2N(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N(C)c2ccc3scnc3c2)S1(=O)=O)c1ccc2sccc2c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.35
PDE10A Q9Y233 2/20 0.31
NPY1R P25929 1/20 0.31
CMA1 P23946 2/20 0.31
PIN1 Q13526 1/20 0.30
NTSR1 P30989 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
SCHEMBL18180288 0.94 PYGL (0.35) PYGLPDE10ANPY1RCMA1
SCHEMBL19969008 0.94 PYGL (0.35) PYGLPDE10ANPY1RCMA1
SCHEMBL19969164 0.88 PDE10A (0.34) PYGLPDE10ACMA1
SCHEMBL19962037 0.88 PDE10A (0.34) PYGLPDE10ACMA1
SCHEMBL19962086 0.87 CMA1 (0.35) PYGLPDE10ACMA1NTSR1
SCHEMBL19962038 0.85 PIN1 (0.39) PYGLPDE10APIN1
SCHEMBL19962065 0.85 NOS2 (0.33) PYGLPDE10A
SCHEMBL19962014 0.83 PYGL (0.36) PYGLPDE10APIN1
SCHEMBL19962042 0.83 PYGL (0.34) PYGLPDE10APIN1
SCHEMBL19969114 0.83 NPY1R (0.35) PYGLPDE10ANPY1RCMA1NTSR1

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 PYGL 498/4885PDE10A 2805/4885NPY1R 4876/4885

“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.