SCHEMBL4452560

SCHEMBL4452560

COc1ccc2cc(C(=O)N3CCC(N(C)C(=O)c4cc5ccccc5cc4C(=O)C(c4cccc5ccccc45)P(=O)(O)O)C3)ccc2c1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSG P08311 9/20 0.81
CMA1 P23946 3/20 0.81
MASP2 O00187 1/20 0.75
ACP3 P15309 1/20 0.46
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
MCHR1 Q99705 5/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
WNK1 Q9H4A3 1/20 0.38
KLK7 P49862 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL30355342 0.90 CTSG (1.00) CTSGCMA1MASP2ACP3NPC1
SCHEMBL1260969 0.90 CTSG (1.00) CTSGCMA1MASP2ACP3NPC1
SCHEMBL30583367 0.90 CTSG (1.00) CTSGCMA1MASP2ACP3NPC1
SCHEMBL1614372 0.87 CTSG (0.91) CTSGCMA1MASP2ACP3NPC1
SCHEMBL1614715 0.86 CTSG (0.89) CTSGCMA1MASP2ACP3NPC1
SCHEMBL4456271 0.86 CTSG (0.86) CTSGCMA1MASP2ACP3MCHR1
SCHEMBL1613660 0.86 CTSG (1.00) CTSGCMA1MASP2ACP3NPC1
SCHEMBL31211813 0.86 CTSG (1.00) CTSGCMA1MASP2ACP3NPC1
SCHEMBL10146840 0.85 CTSG (0.90) CTSGCMA1MASP2ACP3NPC1
SCHEMBL4455609 0.85 CTSG (0.90) CTSGCMA1MASP2ACP3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461195-B2 Phosphonic acid compounds as inhibitors of serine proteases JANSSEN PHARMACEUTICA N.V. (BE) 2013-06-11 US claimed
US-20110319363-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES GRECO MICHAEL N (US) 2011-12-29 US claimed
EP-1438316-B1 PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES ORTHO MCNEIL PHARM INC (US) 2006-06-21 EP claimed
EP-1438316-A1 PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES Ortho-McNeil Pharmaceutical, Inc. (US) 2004-07-21 EP claimed
US-20040082544-A1 Novel phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US claimed
US-20030195172-A1 Novel phosphonic acid compounds as inhibitors of serine proteases GRECO MICHAEL N (US) 2003-10-16 US claimed
WO-2003035654-A1 PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-05-01 WO claimed
EP-1620446-B1 PIPERAZINE CONTAINING PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES ORTHO MCNEIL PHARMACEUTICAL CORP (US) 2012-10-24 EP disclosed
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders MICROBIA, INC. (US) 2009-02-26 US disclosed
WO-2006102069-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2006-09-28 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 (4 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-20040082544-A1 Novel phosphonic acid compounds as inhibitors of serine proteases HPN, PRSS1, SERPINB1 CTSG 251/4885CMA1 137/4885MASP2 31/4885
US-20030195172-A1 Novel phosphonic acid compounds as inhibitors of serine proteases HPN, PRSS1, SERPINB1 CTSG 251/4885CMA1 137/4885MASP2 31/4885
US-20110319363-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES HPN, PRSS1, SERPINB1 CTSG 251/4885CMA1 137/4885MASP2 31/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR CTSG 1249/4885CMA1 313/4885MASP2 3443/4885

“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.