SCHEMBL7463161

SCHEMBL7463161

CC(C)C[C@@H]([C]=O)NC(=O)c1ccc2[nH]ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.66
TAS1R1 Q7RTX1 2/20 0.66
CTSK P43235 4/20 0.48
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
ANPEP P15144 1/20 0.43
SMYD3 Q9H7B4 2/20 0.42

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
SCHEMBL7463164 0.81 TAS1R3 (0.67) TAS1R3TAS1R1CTSKMAOAMAOB
SCHEMBL8514379 0.80 TAS1R3 (0.68) TAS1R3TAS1R1MAOAMAOBHDAC1
SCHEMBL7472149 0.80 CTSK (0.52) TAS1R3TAS1R1CTSKHDAC1HDAC2
SCHEMBL701044 0.80 TAS1R3 (1.00) TAS1R3TAS1R1CTSK
SCHEMBL701043 0.80 TAS1R3 (1.00) TAS1R3TAS1R1CTSK
SCHEMBL27481258 0.79 HPGDS (0.42) TAS1R3TAS1R1CTSKNPC1RAB9A
SCHEMBL14283702 0.78 TAS1R3 (0.68) TAS1R3TAS1R1CTSKCTSS
SCHEMBL9388771 0.78 PADI4 (0.49) TAS1R3TAS1R1HDAC1HDAC2HDAC3
SCHEMBL7023745 0.77 TAS1R3 (0.60) TAS1R3TAS1R1MAOAMAOBHDAC1
SCHEMBL9480345 0.77 TAS1R3 (0.60) TAS1R3TAS1R1MAOAMAOBHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US claimed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP disclosed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US disclosed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO 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-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ TAS1R3 2410/4885TAS1R1 2189/4885CTSK 22/4885

“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.