SCHEMBL2118428

SCHEMBL2118428

CCC(C)OP(=O)(O)CN

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 3/20 0.38
METAP1 P53582 1/20 0.36
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
ANPEP P15144 3/20 0.31
ERAP1 Q9NZ08 1/20 0.31
FDPS P14324 1/20 0.31
SMPD1 P17405 3/20 0.31

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
Hydrochloric Acid SCHEMBL13269112 0.98 LAP3 (0.37) LAP3METAP1GABBR2GABBR1MEN1
Oxalic Acid SCHEMBL1377851 0.92 LAP3 (0.33) LAP3METAP1GABBR2GABBR1MMP1
SCHEMBL787731 0.83 ALDH1A1 (0.39) LAP3METAP1GABBR2GABBR1MEN1
SCHEMBL776263 0.82 LAP3 (0.36) LAP3METAP1MMP1MMP2MMP3
SCHEMBL864318 0.80 CYP1A2 (0.47) GABBR2GABBR1MEN1CYP1A2KMT2A
SCHEMBL371423 0.80 GABBR2 (0.42) LAP3GABBR2GABBR1MEN1CYP1A2
SCHEMBL1251447 0.80 PPARD (0.35) LAP3METAP1MMP1MMP2MMP3
SCHEMBL11745106 0.80 LAP3 (0.34) LAP3METAP1MMP1MMP2MMP3
SCHEMBL11662649 0.79
SCHEMBL9203703 0.79 CYP1A2 (0.42) GABBR2GABBR1MEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155023-B1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO SPA (IT) 2005-03-02 EP claimed
JP-2003518131-A 2003-06-03 JP claimed
CN-1105117-C Pharmaceutical aminophosphonic acid derivatives SYMPHAR SA (CH) 2003-04-09 CN claimed
US-6509324-B1 Use as contrast agents in magnetic resonance imaging BRACCO S.P.A. (IT) 2003-01-21 US claimed
US-20030013859-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2003-01-16 US claimed
EP-1155023-A1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.p.A. (IT) 2001-11-21 EP claimed
WO-2001046207-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2001-06-28 WO claimed
CN-1240451-A Pharmaceutical aminophosphonic acid derivatives SYMPHAR SA (CH) 2000-01-05 CN claimed
WO-2025026797-A1 GLYCOLYSIS OF POLYISOCYANURATE FOAMS BASF SE (DE) 2025-02-06 WO disclosed
CN-105658692-A Improved rigid polyurethane and rigid polyisocyanurate foams based on fatty acid-modified polyether polyols 巴斯夫欧洲公司 2016-06-08 CN disclosed
CN-105579484-A Polyurethane foam premixes containing halogenated olefin blowing agents and foams made from same HONEYWELL INT INC 2016-05-11 CN disclosed
CN-105392859-A Compositions and methods comprising vinylidene fluoride HONEYWELL INT INC 2016-03-09 CN disclosed
CN-105283507-A Flame-retardant polycarbonate compounds which are completely non-halogenated POLYONE CORP 2016-01-27 CN disclosed
CN-102892849-B curable powder coating composition and cured product thereof NIPPON SODA CO.,LTD. (JP) 2016-01-20 CN disclosed
WO-1996040760-A2 IODINE-CONTAINING PEPTIDES AND THEIR USE AS X-RAY CONTRAST MEDIA SCHERING AKTIENGESELLSCHAFT (DE) 1996-12-19 WO disclosed
CN-1120061-A Binder for magnetic media MINNESOTA MINING & MFG (US) 1996-04-10 CN disclosed
EP-0496561-B1 [[(2-Amino-3,4-dioxo-1-cyclobuten-1-yl)amino]alkyl]-acid derivatives AMERICAN HOME PROD (US) 1995-03-15 EP disclosed
US-5240946-A Anticonvulsants, nervous system disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-31 US disclosed
US-5168103-A Neuroprotectants, anticonvulsants AMERICAN HOME PRODUCTS CORPORATION (US) 1992-12-01 US disclosed
EP-0496561-A2 [[(2-Amino-3,4-dioxo-1-cyclobuten-1-yl)amino]alkyl]-acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1992-07-29 EP 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-20030013859-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS MPI, SLC39A14, LRPPRC LAP3 1708/4885METAP1 1349/4885GABBR2 2149/4885

“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.