SCHEMBL1260969

SCHEMBL1260969

CN(C(=O)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(=O)(O)O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSG P08311 9/20 1.00
CMA1 P23946 4/20 1.00
MASP2 O00187 1/20 0.89
ACP3 P15309 1/20 0.54
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
DRD4 P21917 3/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
CAPN1 P07384 1/20 0.39
CTSB P07858 1/20 0.39

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 1.00 CTSG (1.00) CTSGCMA1MASP2ACP3NPC1
SCHEMBL30583367 1.00 CTSG (1.00) CTSGCMA1MASP2ACP3NPC1
SCHEMBL1614372 0.95 CTSG (0.91) CTSGCMA1MASP2ACP3NPC1
SCHEMBL4455609 0.95 CTSG (0.90) CTSGCMA1MASP2ACP3NPC1
SCHEMBL10146840 0.95 CTSG (0.90) CTSGCMA1MASP2ACP3NPC1
SCHEMBL1614715 0.94 CTSG (0.89) CTSGCMA1MASP2ACP3NPC1
SCHEMBL4462315 0.94 CTSG (0.89) CTSGCMA1MASP2ACP3NPC1
SCHEMBL31211813 0.94 CTSG (1.00) CTSGCMA1MASP2ACP3NPC1
SCHEMBL1613660 0.94 CTSG (1.00) CTSGCMA1MASP2ACP3NPC1
SCHEMBL4456271 0.93 CTSG (0.86) 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 121 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3875078-A1 COMPOUNDS FOR THE TREATMENT OF COVID-19 Dompe' Farmaceutici S.P.A. (IT) 2021-09-08 EP claimed
US-7459461-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-12-02 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-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
EP-3875078-A1 COMPOUNDS FOR THE TREATMENT OF COVID-19 Dompe' Farmaceutici S.P.A. (IT) 2021-09-08 EP disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
EP-1620446-A2 PIPERAZINE CONTAINING PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES Ortho-Mcneil Pharmaceutical Corp. (US) 2006-02-01 EP disclosed
WO-2004094441-A2 PIPERAZINE CONTAINING PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2004-11-04 WO disclosed
EP-1438316-A1 PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES Ortho-McNeil Pharmaceutical, Inc. (US) 2004-07-21 EP disclosed
US-20040082544-A1 Novel phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US disclosed
US-20030195172-A1 Novel phosphonic acid compounds as inhibitors of serine proteases GRECO MICHAEL N (US) 2003-10-16 US disclosed
WO-2003035654-A1 PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-05-01 WO disclosed
WO-2003035654-A1 PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 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-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

“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.