SCHEMBL716616

SCHEMBL716616

COC(=O)c1cc(NCS(C)(=O)=O)cc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 3/20 0.38
CPT1A P50416 3/20 0.38
CPT1B Q92523 2/20 0.38
MAPT P10636 1/20 0.37
BAZ2A Q9UIF9 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.35
TRPV1 Q8NER1 4/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.33
ROCK2 O75116 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
SCHEMBL715025 0.91 NAA50 (0.38) CPT2CPT1ACPT1BBAZ2ATSHR
SCHEMBL166241 0.85 TRPV1 (0.42) CPT2CPT1ACPT1BBAZ2ATSHR
SCHEMBL166240 0.85 TRPV1 (0.42) CPT2CPT1ACPT1BBAZ2ATSHR
SCHEMBL10290636 0.85 BAZ2A (0.42) CPT2CPT1ACPT1BBAZ2ATSHR
SCHEMBL6466955 0.84 BAZ2A (0.41) CPT2CPT1ACPT1BBAZ2ATSHR
SCHEMBL475795 0.84 TSHR (0.39) CPT2CPT1ACPT1BBAZ2ATSHR
SCHEMBL3511063 0.84 TSHR (0.39) CPT2CPT1ACPT1BBAZ2ATSHR
SCHEMBL6464489 0.84 POLB (0.39) CPT2CPT1ACPT1BBAZ2ATSHR
SCHEMBL166175 0.83 USP30 (0.38) CPT2CPT1ACPT1BMAPTBAZ2A
SCHEMBL716617 0.83 USP30 (0.38) CPT2CPT1ACPT1BMAPTBAZ2A

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 CPT2 624/4885CPT1A 743/4885CPT1B 1515/4885

“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.