SCHEMBL5111851

SCHEMBL5111851

CC(C)(C)OC(=O)NN(Cc1cccc(C#N)c1)C(=O)N1CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.46
AKT1 P31749 3/20 0.45
DPP7 Q9UHL4 1/20 0.44
CTSL P07711 4/20 0.41
CTSB P07858 4/20 0.41
CTSS P25774 3/20 0.41
MEP1A Q16819 1/20 0.41
MEP1B Q16820 1/20 0.41
F2 P00734 4/20 0.39
PRSS1 P07477 4/20 0.39
CTSK P43235 1/20 0.39
AR P10275 1/20 0.38
F10 P00742 2/20 0.38
FAAH O00519 1/20 0.38
CTSD P07339 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL14289384 0.90 PTGES (0.44) PTGESAKT1CTSLCTSBCTSS
SCHEMBL14289410 0.89 GRM5 (0.45) PTGESAKT1CTSLCTSBCTSS
SCHEMBL5115199 0.85 F2 (0.43) PTGESAKT1DPP7CTSLCTSB
SCHEMBL5116905 0.84 DPP7 (0.49) PTGESDPP7CTSLCTSBMEP1A
SCHEMBL14289388 0.75 DPP7 (0.53) DPP7CTSLCTSBMEP1AMEP1B
SCHEMBL5103191 0.75 F2 (0.45) MEP1AMEP1BF2PRSS1F10
Hydrochloric Acid SCHEMBL5107306 0.74 DPP7 (0.52) DPP7CTSLCTSBMEP1AMEP1B
Hydrochloric Acid SCHEMBL5107311 0.74 DPP7 (0.52) DPP7CTSLCTSBMEP1AMEP1B
SCHEMBL5115442 0.72 F2 (0.73) F2PRSS1F10
SCHEMBL5114785 0.72 F2 (0.71) F2PRSS1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 US disclosed
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 US disclosed
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-01-03 US disclosed
US-7285547-B2 Amidinophenylalanine derivatives as thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2007-10-23 US disclosed
US-7285547-B2 Amidinophenylalanine derivatives as thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2007-10-23 US disclosed
US-7285547-B2 Amidinophenylalanine derivatives as thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2007-10-23 US disclosed
EP-1355894-B1 AMIDINOPHENYLALANINE DERIVATIVES AS THROMBIN INHIBITORS UNIV LJUBLJANI (SI) 2005-03-16 EP disclosed
US-20040048851-A1 Amidinophenylalanine derivatives as thrombin inhibitors UNIVERZA V LJUBLJANA (SI) 2004-03-11 US 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-20040048851-A1 Amidinophenylalanine derivatives as thrombin inhibitors TFPI, SERPINC1, F2 PTGES 1136/4885AKT1 2645/4885DPP7 451/4885
US-20080004256-A1 Amidinophenylalanine Derivatives as Thrombin Inhibitors TFPI, SERPINC1, F2 PTGES 817/4885AKT1 2460/4885DPP7 204/4885

“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.