SCHEMBL7241995

SCHEMBL7241995

COC(=O)[C@H](CC(C)C)NC(=O)c1cc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 1.00
TAS1R1 Q7RTX1 8/20 1.00
CTSK P43235 5/20 0.58
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
PIN1 Q13526 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
TRPV4 Q9HBA0 2/20 0.49

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
SCHEMBL10226447 1.00 TAS1R3 (1.00) TAS1R3TAS1R1CTSKCTSBCTSS
SCHEMBL4192862 1.00 TAS1R3 (1.00) TAS1R3TAS1R1CTSKCTSBCTSS
SCHEMBL14362858 0.88 TAS1R3 (0.78) TAS1R3TAS1R1CTSKCTSBCTSS
SCHEMBL3078403 0.88 TAS1R3 (0.78) TAS1R3TAS1R1CTSKCTSBCTSS
SCHEMBL704949 0.88 TAS1R3 (0.78) TAS1R3TAS1R1CTSKCTSBCTSS
SCHEMBL14605678 0.82 TAS1R3 (0.70) TAS1R3TAS1R1CTSKCTSBCTSS
SCHEMBL13753385 0.81 HDAC3 (0.68) TAS1R3TAS1R1CTSBCTSSPIN1
SCHEMBL5429395 0.80 TAS1R3 (0.66) TAS1R3TAS1R1CTSKCTSBCTSS
SCHEMBL7460576 0.79 TAS1R3 (0.65) TAS1R3TAS1R1CTSKCTSBCTSS
SCHEMBL5438961 0.79 TAS1R3 (0.65) TAS1R3TAS1R1CTSKCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003846-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-11-13 EP claimed
US-20020013360-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-01-31 US claimed
EP-1003846-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-05-31 EP claimed
WO-1998050533-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO claimed
US-6566373-B2 For therapy of osteoporosis, periodontitis, and arthritis SMITHKLINE BEECHAM CORPORATION 2003-05-20 US disclosed
EP-1003846-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-11-13 EP disclosed
US-20020013360-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-01-31 US disclosed
EP-1003846-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-05-31 EP disclosed
WO-1998050533-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-20020013360-A1 Protease inhibitors CTSK, CTSV, CTSS TAS1R3 3510/4885TAS1R1 4032/4885CTSK 1/4885

“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.