SCHEMBL716617

SCHEMBL716617

COC(=O)c1cc(C(=O)N2CCCC2c2nc(C)cs2)cc(N(C)S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
CPT1A P50416 4/20 0.36
CPT2 P23786 3/20 0.36
CPT1B Q92523 2/20 0.36
POLB P06746 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
BAZ2A Q9UIF9 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34
ROCK2 O75116 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL166175 1.00 USP30 (0.38) USP30CPT1ACPT2CPT1BPOLB
SCHEMBL715026 0.90 CPT1A (0.38) USP30CPT1ACPT2CPT1BPOLB
SCHEMBL166455 0.90 CPT1A (0.38) USP30CPT1ACPT2CPT1BPOLB
SCHEMBL2725216 0.87 CPT2 (0.38) USP30CPT1ACPT2CPT1BPOLB
SCHEMBL6464489 0.86 POLB (0.39) CPT1ACPT2CPT1BPOLBTRPV1
SCHEMBL166240 0.86 TRPV1 (0.42) CPT1ACPT2CPT1BPOLBTRPV1
SCHEMBL166241 0.86 TRPV1 (0.42) CPT1ACPT2CPT1BPOLBTRPV1
SCHEMBL6466955 0.85 BAZ2A (0.41) CPT1ACPT2CPT1BPOLBTRPV1
SCHEMBL716616 0.83 CPT2 (0.38) CPT1ACPT2CPT1BPOLBTRPV1
SCHEMBL10290636 0.83 BAZ2A (0.42) CPT1ACPT2CPT1BPOLBTRPV1

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-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 USP30 2583/4885CPT1A 743/4885CPT2 624/4885

“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.