SCHEMBL5162874

SCHEMBL5162874

NCCC(N)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.64
PDE3A Q14432 2/20 0.59
LMNA P02545 2/20 0.59
ADRB3 P13945 1/20 0.59
PDE4D Q08499 1/20 0.59
SMPD1 P17405 2/20 0.54
ALDH1A1 P00352 1/20 0.41
GRM4 Q14833 1/20 0.39
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
GABBR2 O75899 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35

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
SCHEMBL11327768 0.88 FDPS (0.70) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL5054852 0.83 FDPS (0.67) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8825784 0.82 FDPS (0.77) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL4104675 0.82 FDPS (0.73) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL5490591 0.81 FDPS (0.68) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL12797880 0.81 FDPS (0.56) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL1285892 0.80 FDPS (0.61) FDPSPDE3ALMNAADRB3PDE4D
Water SCHEMBL5162288 0.80 FDPS (0.70) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL13308413 0.78 FDPS (0.54) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL4106973 0.78 FDPS (0.58) FDPSPDE3ALMNAADRB3PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753523-A1 Amino-substituted bisphosphonic acids GADOR S.A. (AR) 1997-01-15 EP claimed
US-8853187-B2 Composition comprising bisphosphonates for prevention and/or treatment of metabolic diseases of bones, process for preparing such composition and use thereof GADOR S.A. (AR) 2014-10-07 US disclosed
US-8293029-B2 Colored conversion layers on metal surfaces HENKEL AG & CO. KGAA (DE) 2012-10-23 US disclosed
US-20090247491-A1 COMPOSITION COMPRISING BISPHOSPHONATES FOR PREVENTION AND/OR TREATMENT OF METABOLIC DISEASES OF BONES, PROCESS FOR PREPARING SUCH COMPOSITION AND USE THEREOF GADOR S.A. (AR) 2009-10-01 US disclosed
US-7560490-B2 A bisphosphonate, carboxymethyl cellulose and xanthan gum viscosity agents, flavorants and purified water GADOR S.A. (AR) 2009-07-14 US disclosed
US-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-12-25 US disclosed
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 US disclosed
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 US disclosed
EP-1658392-B1 COLOUR CONVERSION LAYERS ON METAL SURFACES HENKEL KGAA (DE) 2007-03-14 EP disclosed
US-20060173099-A1 Colored conversion layers on metal surfaces HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-08-03 US disclosed
US-6670399-B2 Contacting a blood vessel wall cell with an A beta 40 inhibitor, such that cerebral amyloid angiopathy is inhibited NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2003-12-30 US disclosed
EP-0837682-B1 THERAPEUTIC USE OF 1-AMINO-3-(N,N-DIMETHYLAMINO)-PROPYLIDEN-1,1-BISPHOSPHONIC ACID AND ITS SALTS GADOR SA (AR) 2002-11-06 EP disclosed
US-5990098-A AS BIOLOGICAL CARRIER FOR A BONE ACTIVE SUBSTANCE SUCH AS CYTOKINES, GROWTHS FACTORS, PROSTAGLANDINS, HORMONES AND CYTOSTATIC DRUGS; TREATING BONE OR MINERAL METABOLIC DISORDERS SUCH AS OSTEOPOROSIS, ARTHRITIS GADOR, S.A. (AR) 1999-11-23 US disclosed
EP-0837682-A1 THERAPEUTIC USE OF 1-AMINO-3-(N,N-DIMETHYLAMINO)-PROPYLIDEN-1,1-BISPHOSPHONIC ACID AND ITS SALTS GADOR S.A. (AR) 1998-04-29 EP disclosed
WO-1997002827-A1 THERAPEUTIC USE OF 1-AMINO-3-(N,N-DIMETHYLAMINO)-PROPYLIDEN-1,1-BISPHOSPHONIC ACID AND ITS SALTS GADOR S.A. (AR) 1997-01-30 WO disclosed
EP-0753523-A1 Amino-substituted bisphosphonic acids GADOR S.A. (AR) 1997-01-15 EP disclosed
EP-0001584-B1 HYDROXYDIPHOSPHONIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS COMPLEX-FORMING AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 1982-06-30 EP disclosed
US-4267108-A USEFUL AS STABILIZERS, SEQUESTERING AGENTS, ANTIDEPOSIT AGENTS, ANTISCALING AGENTS AND PHARMACEUTICALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1981-05-12 US disclosed
EP-0001584-A1 Hydroxydiphosphonic acids, process for their preparation and their use as complex-forming agents Henkel Kommanditgesellschaft auf Aktien (DE) 1979-05-02 EP disclosed
US-4064164-A SEQUESTERING AGENTS, ANTICARIES AGENTS, CALCIUM OR PHOSPHATE METABOLISM ABNORMALITIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DT) 1977-12-20 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 (3 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-20090247491-A1 COMPOSITION COMPRISING BISPHOSPHONATES FOR PREVENTION AND/OR TREATMENT OF METABOLIC DISEASES OF BONES, PROCESS FOR PREPARING SUCH COMPOSITION AND USE THEREOF SOST, BPGM, FBP1 FDPS 84/4885PDE3A 610/4885LMNA 763/4885
US-20080317834-A1 Compounds and methods for modulating cerebral amyloid angiopathy APP, PYGB, MAPT FDPS 1920/4885PDE3A 685/4885LMNA 1103/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 FDPS 4229/4885PDE3A 2085/4885LMNA 2106/4885

“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.