SCHEMBL2952202

SCHEMBL2952202

CC(C)OC(=O)[C@H](CN)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.56
CTSS P25774 4/20 0.53
CTSL P07711 3/20 0.53
CTSB P07858 2/20 0.53
ATM Q13315 1/20 0.52
CASP1 P29466 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
TACR1 P25103 2/20 0.50
KYNU Q16719 1/20 0.50
PSMB1 P20618 1/20 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
SCHEMBL29521267 1.00 CTSK (0.56) CTSKCTSSCTSLCTSBATM
SCHEMBL2952201 1.00 CTSK (0.56) CTSKCTSSCTSLCTSBATM
Hydrochloric Acid SCHEMBL29367832 0.99 CTSK (0.55) CTSKCTSSCTSLCTSBATM
Hydrochloric Acid SCHEMBL28702723 0.99 CTSK (0.55) CTSKCTSSCTSLCTSBATM
SCHEMBL16460327 0.88 CTSK (0.63) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL16460328 0.88 CTSK (0.63) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL3258258 0.87 KYNU (0.63) CTSKCTSSCTSLCTSBATM
SCHEMBL4346138 0.87 KYNU (0.63) CTSKCTSSCTSLCTSBATM
SCHEMBL2115471 0.87 KYNU (0.63) CTSKCTSSCTSLCTSBATM
SCHEMBL30437751 0.87 CTSK (0.56) CTSKCTSSCTSLCTSBCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
EP-1565467-B1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME GALAPAGOS SAS (FR) 2009-05-20 EP disclosed
US-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS NV (BE) 2006-03-09 US disclosed
WO-2004048375-A1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PROSKELIA SAS (FR) 2004-06-10 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-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 CTSK 1391/4885CTSS 1246/4885CTSL 447/4885
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 CTSK 1391/4885CTSS 1246/4885CTSL 447/4885

“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.