SCHEMBL4916101

SCHEMBL4916101

CC(C)(C)OC(=O)NC(CCO)C(=O)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.50
ITGA2B P08514 11/20 0.50
TSHR P16473 1/20 0.47
CTSK P43235 5/20 0.46
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CTSS P25774 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4916104 1.00 ITGB3 (0.50) ITGB3ITGA2BTSHRCTSKCTSL
SCHEMBL27469415 0.87 CTSK (0.52) ITGB3ITGA2BTSHRCTSKCTSL
SCHEMBL23845159 0.87 HRH2 (0.48) ITGB3ITGA2BTSHRCTSKCTSL
SCHEMBL9718051 0.87 HRH2 (0.48) ITGB3ITGA2BTSHRCTSKCTSL
SCHEMBL4767490 0.86 ITGB3 (0.47) ITGB3ITGA2BTSHRCTSKCTSL
SCHEMBL4767454 0.86 ITGB3 (0.47) ITGB3ITGA2BTSHRCTSKCTSL
SCHEMBL4933439 0.86 CTSK (0.52) ITGB3ITGA2BTSHRCTSKCTSL
SCHEMBL18016112 0.85 ITGB3 (0.48) ITGB3ITGA2BTSHRCTSKCTSL
SCHEMBL1312834 0.85 TSHR (0.52) ITGB3ITGA2BTSHRHDAC4HDAC1
SCHEMBL9103036 0.84 CTSK (0.52) ITGB3ITGA2BTSHRCTSKCTSS

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-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-20050043299-A1 Inhibitors of dipeptidyl peptidase iv FERRING B. V. 2005-02-24 US disclosed
EP-1446116-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2004-08-18 EP disclosed
WO-2003035057-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING B.V. (NL) 2003-05-01 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 (2 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-20050043299-A1 Inhibitors of dipeptidyl peptidase iv DPP4, DPP9, DPP3 ITGB3 4014/4885ITGA2B 3782/4885TSHR 1641/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 ITGB3 4250/4885ITGA2B 4214/4885TSHR 2555/4885

“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.