SCHEMBL321996

SCHEMBL321996

N#Cc1ccc(C(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCCN)NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.46
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CTSG P08311 7/20 0.41
CMA1 P23946 6/20 0.41
PRSS1 P07477 2/20 0.41
CTRB1 P17538 1/20 0.41
F10 P00742 3/20 0.41
PLG P00747 2/20 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
SCHEMBL322298 0.88 F2 (0.43) CTSGCMA1PRSS1CTRB1F10
SCHEMBL10056562 0.86 CA1 (0.49) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL2167674 0.84 TMPRSS11D (0.53) CTSBITGB3ITGA2BPRSS1F10
SCHEMBL16821242 0.78 ITGB3 (0.56) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL30309011 0.75 ITGB3 (0.65) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL8347771 0.74 TMPRSS11D (0.58) F10PLGF11KLKB1F2
SCHEMBL635785 0.73 TMPRSS11D (0.53) PRSS1F10PLGF11KLKB1
SCHEMBL15308907 0.73 F2 (0.51) F10PLGKLKB1F2
SCHEMBL3752985 0.73 TMPRSS11D (0.51) ITGB3ITGA2BPRSS1F10PLG
Hydrochloric Acid SCHEMBL30703151 0.70 ITGB3 (0.54) ITGB3ITGA2BHDAC3HDAC4HDAC1

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-8921319-B2 Serine protease inhibitors THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2014-12-30 US disclosed
EP-2590945-B1 SERINE PROTEASE INHIBITORS MEDICINES CO LEIPZIG GMBH (DE) 2014-04-30 EP disclosed
US-20130267467-A1 SERINE PROTEASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-10-10 US disclosed
EP-2590945-A2 SERINE PROTEASE INHIBITORS The Medicines Company (Leipzig) GmbH (DE) 2013-05-15 EP disclosed
WO-2012004678-A2 SERINE PROTEASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-01-12 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-20130267467-A1 SERINE PROTEASE INHIBITORS SERPINE1, KLKB1, SERPINC1 CTSB 217/4885ITGB3 391/4885ITGA2B 587/4885

“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.