SCHEMBL3422757

SCHEMBL3422757

CC(O)N(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.42
LAP3 P28838 4/20 0.36
ANPEP P15144 3/20 0.36
ERAP1 Q9NZ08 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
METAP1 P53582 1/20 0.32
MMP2 P08253 2/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1463097 0.83 MEN1 (0.34) FDPSTDP1
SCHEMBL11133667 0.81 FDPS (0.44) FDPSLAP3ANPEPERAP1ALDH1A1
SCHEMBL9615223 0.81 FDPS (0.33) FDPSLAP3ALDH1A1
SCHEMBL6903724 0.80 CA2 (0.34) FDPS
SCHEMBL1420968 0.79 FDPS (0.37) FDPSLAP3ANPEPERAP1ALDH1A1
SCHEMBL5676951 0.79 FDPS (0.42) FDPSLAP3ANPEPERAP1ALDH1A1
SCHEMBL6897450 0.77 FDPS (0.36) FDPSLAP3ANPEPERAP1ALDH1A1
SCHEMBL11139905 0.77 FDPS (0.41) FDPSLAP3ANPEPERAP1ALDH1A1
SCHEMBL7192599 0.75 MEN1 (0.42) LAP3ANPEPERAP1ALDH1A1MMP1
SCHEMBL4380205 0.75 FDPS (0.39) FDPSLAP3ANPEPERAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538970-B1 Corrosion inhibition with water-soluble rare earth chelates BETZDEARBORN INC (US) 1997-12-29 EP claimed
EP-0437722-B1 Control of corrosion in aqueous systems using certain phosphonomethyl amine oxides GRACE W R & CO (US) 1994-09-14 EP claimed
EP-0432664-B1 CONTROL OF SCALE IN AQUEOUS SYSTEMS USING CERTAIN PHOSPHONOMETHYL AMINE OXIDES W.R. Grace & Co.-Conn. (US) 1993-03-10 EP claimed
US-5019343-A Control of corrosion in aqueous systems using certain phosphonomethyl amines W. R. GRACE & CO.-CONN. (US) 1991-05-28 US claimed
US-7750180-B2 Process for the preparation of N-phosphonomethylglycine and derivatives thereof MONSANTO TECHNOLOGY LLC (US) 2010-07-06 US disclosed
US-20050054871-A1 Process for the preparation of N-phosphonomethylglycine and derivatives thereof MONSANTO TECHNOLOGY LLC 2005-03-10 US disclosed
US-6083403-A METAL SURFACES NALCO CHEMICAL COMPANY (US) 2000-07-04 US disclosed
EP-0437722-B1 Control of corrosion in aqueous systems using certain phosphonomethyl amine oxides GRACE W R & CO (US) 1994-09-14 EP disclosed
EP-0432664-B1 CONTROL OF SCALE IN AQUEOUS SYSTEMS USING CERTAIN PHOSPHONOMETHYL AMINE OXIDES W.R. Grace & Co.-Conn. (US) 1993-03-10 EP disclosed
US-5167866-A Antiscaling agents W. R. GRACE & CO. CONN. (US) 1992-12-01 US disclosed
US-5096595-A Containing at least one oxidized tert amine group W. R. GRACE & CO.-CONN. (US) 1992-03-17 US disclosed
US-5069798-A CLOUD POINT OF AT LEAST 25 PARTS PER MILLION W. R. GRACE & CO.-CONN. (US) 1991-12-03 US disclosed
US-5051532-A N,N-bis-phosphonomethyl taurine N-oxide and water-soluble salts thereof W. R. GRACE & CO.-CONN. (US) 1991-09-24 US disclosed
EP-0437722-A1 Control of corrosion in aqueous systems using certain phosphonomethyl amine oxides W.R. GRACE & CO.-CONN. (US) 1991-07-24 EP disclosed
EP-0432664-A1 Control of scale in aqueous systems using certain phosphonomethyl amine oxides W.R. Grace & Co.-Conn. (US) 1991-06-19 EP disclosed
US-5019343-A Control of corrosion in aqueous systems using certain phosphonomethyl amines W. R. GRACE & CO.-CONN. (US) 1991-05-28 US disclosed
US-4977292-A Water treatment W. R. GRACE & CO.-CONN. (US) 1990-12-11 US disclosed
US-4973744-A ANTISCALE AND ANTICORROSION AGENTS FOR WATER TREATMENT W. R. GRACE & CO.-CONN. (US) 1990-11-27 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 (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-20050054871-A1 Process for the preparation of N-phosphonomethylglycine and derivatives thereof PHOSPHO1, GNE, MPHOSPH6 FDPS 1705/4885LAP3 667/4885ANPEP 85/4885

“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.