SCHEMBL3078403

SCHEMBL3078403

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.78
TAS1R1 Q7RTX1 2/20 0.78
PIN1 Q13526 6/20 0.64
CTSK P43235 5/20 0.60
CTSB P07858 1/20 0.58
CTSS P25774 1/20 0.58
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
ICMT O60725 1/20 0.54
GRN P28799 1/20 0.53
SORT1 Q99523 1/20 0.53

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
SCHEMBL704949 1.00 TAS1R3 (0.78) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL14362858 0.90 TAS1R3 (0.78) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL7241995 0.88 TAS1R3 (1.00) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL10226447 0.88 TAS1R3 (1.00) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL4192862 0.88 TAS1R3 (1.00) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL6660145 0.88 TAS1R3 (0.64) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL3913711 0.87 PIN1 (0.64) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL14605678 0.87 TAS1R3 (0.70) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL4144456 0.83 TAS1R3 (0.65) TAS1R3TAS1R1PIN1CTSKCTSB
SCHEMBL5434145 0.83 TAS1R3 (0.65) TAS1R3TAS1R1PIN1CTSKCTSB

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 40 patents — showing the first 20. 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-20100227856-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-09-09 US disclosed
US-20100227856-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-09-09 US disclosed
US-20100227856-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-09-09 US disclosed
EP-1796793-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-05 EP disclosed
EP-1796677-A4 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORP (US) 2009-07-08 EP disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
WO-2006029209-A2 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO disclosed
WO-2006029154-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO disclosed
WO-2006029210-A2 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO disclosed
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 (3 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 4032/4885PIN1 207/4885
US-20100227856-A1 NOVEL COMPOUNDS TRPV4, TRPV1, TRPA1 TAS1R3 314/4885TAS1R1 233/4885PIN1 1662/4885
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 TAS1R3 513/4885TAS1R1 487/4885PIN1 978/4885

“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.