SCHEMBL1613660

SCHEMBL1613660

CN(C(=O)c1cc2ccccc2cc1C(=O)C(c1cccc2ccccc12)P(=O)(O)O)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSG P08311 9/20 1.00
MASP2 O00187 1/20 1.00
CMA1 P23946 3/20 0.89
ACP3 P15309 1/20 0.48
ABL1 P00519 2/20 0.41
RIN1 Q13671 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ACHE P22303 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
CYP2D6 P10635 1/20 0.39
KDM5A P29375 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL31211813 1.00 CTSG (1.00) CTSGMASP2CMA1ACP3ABL1
SCHEMBL1260969 0.94 CTSG (1.00) CTSGMASP2CMA1ACP3NPC1
SCHEMBL30583367 0.94 CTSG (1.00) CTSGMASP2CMA1ACP3NPC1
SCHEMBL30355342 0.94 CTSG (1.00) CTSGMASP2CMA1ACP3NPC1
SCHEMBL1614372 0.91 CTSG (0.91) CTSGMASP2CMA1ACP3NPC1
SCHEMBL1614762 0.90 CTSG (0.82) CTSGMASP2CMA1ACP3PTGDR2
SCHEMBL1614715 0.90 CTSG (0.89) CTSGMASP2CMA1ACP3NPC1
SCHEMBL28330371 0.90 CTSG (0.81) CTSGMASP2CMA1ACP3ABL1
SCHEMBL10146840 0.89 CTSG (0.90) CTSGMASP2CMA1ACP3NPC1
SCHEMBL4455609 0.89 CTSG (0.90) CTSGMASP2CMA1ACP3NPC1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304430-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2012-11-06 US claimed
US-20110086819-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES GRECO MICHAEL N 2011-04-14 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
US-20230364037-A1 CANCER THERAPEUTIC GILLIES MCINDOE RESEARCH INSTITUTE (NZ) 2023-11-16 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
US-20200197335-A1 CANCER THERAPEUTIC GILLIES MCINDOE RESEARCH INSTITUTE (NZ) 2020-06-25 US disclosed
WO-2020027665-A1 NOVEL PHARMACEUTICAL COMPOSITIONS FOR CANCER THERAPY GILLIES MCINDOE RESEARCH INSTITUTE (NZ) 2020-02-06 WO disclosed
US-20170360829-A1 TREATMENT OF VASCULAR ANOMALIES GILLIES MCINDOE RESEARCH INSTITUTE (NZ) 2017-12-21 US disclosed
US-20170234884-A1 CANCER DIAGNOSIS AND THERAPY GILLIES MCINDOE RESEARCH INSTITUTE (NZ) 2017-08-17 US disclosed
WO-2017131534-A1 TREATMENT OF VASCULAR ANOMALIES GILLIES MCINDOE RESEARCH INSTITUTE (NZ) 2017-08-03 WO disclosed
EP-3180000-A1 CANCER DIAGNOSIS AND THERAPY Gillies Mcindoe Research Institute (NZ) 2017-06-21 EP disclosed
WO-2017095236-A1 TREATMENT OF FIBROTIC CONDITIONS GILLIES MCINDOE RESEARCH INSTITUTE (NZ) 2017-06-08 WO disclosed
WO-2016024870-A1 CANCER DIAGNOSIS AND THERAPY GILLIES MCINDOE RESEARCH INSTITUTE (NZ) 2016-02-18 WO disclosed
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders MICROBIA, INC. (US) 2009-02-26 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 (6 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 251/4885MASP2 31/4885CMA1 137/4885
US-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CTSG 787/4885MASP2 1/4885CMA1 887/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 CTSG 787/4885MASP2 1/4885CMA1 887/4885
US-20110086819-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES HPN, PRSS1, SERPINB1 CTSG 251/4885MASP2 31/4885CMA1 137/4885
US-20030195172-A1 Novel phosphonic acid compounds as inhibitors of serine proteases HPN, PRSS1, SERPINB1 CTSG 251/4885MASP2 31/4885CMA1 137/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR CTSG 1249/4885MASP2 3443/4885CMA1 313/4885

“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.