SCHEMBL5478227

SCHEMBL5478227

CNC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.40
CA12 O43570 6/20 0.39
MMP8 P22894 3/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.37
MMP2 P08253 5/20 0.36
MMP3 P08254 1/20 0.36
CA2 P00918 2/20 0.36
TYMS P04818 1/20 0.35
LAP3 P28838 1/20 0.35
MMP9 P14780 1/20 0.34
MMP14 P50281 1/20 0.34
CA14 Q9ULX7 1/20 0.34
FDPS P14324 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FDFT1 P37268 1/20 0.33

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
SCHEMBL13395774 0.79 CA12 (0.32) ANPEPCA12MMP8CA1CA9
SCHEMBL5753028 0.72 CA12 (0.40) CA12MMP8CA1CA9MMP2
SCHEMBL67648 0.72 CA12 (0.40) CA12MMP8CA1CA9MMP2
SCHEMBL21547567 0.71
SCHEMBL9459111 0.69 CA12 (0.39) CA12MMP8CA1CA9MMP2
SCHEMBL9629113 0.69 FDPS (0.42) ANPEPCA12MMP8CA1MMP2
SCHEMBL8336668 0.67 CA12 (0.42) CA12MMP8CA1CA9MMP2
Phosphoric Acid SCHEMBL1830646 0.67 MMP8 (0.38) ANPEPCA12MMP8CA1CA9
Dimethylamine SCHEMBL11688632 0.67 LAP3 (0.41) ANPEPCA12MMP8CA1CA9
SCHEMBL731378 0.67 MMP2 (0.39) ANPEPCA12MMP8CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345294-B1 DRUGS CONTAINING PLATINUM COMPLEXES ASTA MEDICA AG (DE) 1994-04-27 EP claimed
US-5256653-A Pharmaceutical preparations containing platinum complexes/phosphonic acid liquid and processes for their use HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-10-26 US claimed
US-7662977-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-7662977-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS SIGNALRX PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS SIGNALRX PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-7396828-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2008-07-08 US disclosed
US-7396828-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2008-07-08 US disclosed
US-20070224115-A1 Polymeric chelators for radionuclide delivery systems THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-09-27 US disclosed
WO-2004089925-A1 PI-3 KINASE INHIBITOR PRODRUGS SEMAFORE PHARMACEUTICALS, INC. (US) 2004-10-21 WO disclosed
EP-0345294-B1 DRUGS CONTAINING PLATINUM COMPLEXES ASTA MEDICA AG (DE) 1994-04-27 EP disclosed
US-4307038-A N-Carboxy alkyl amino alkane polyphosphonic acids BENCKISER-KNAPSACK GMBH (DE) 1981-12-22 US disclosed
US-4230700-A ADMINISTERING AN ORGANIC MONO- OR DIPHOSPHONATE AND A VITAMIN-D-LIKE ANTIRACHITIC COMPOUND THE PROCTER & GAMBLE COMPANY (US) 1980-10-28 US disclosed
US-4122151-A Process of stabilization of dibasic calcium phosphate dihydrate against hydrolysis with cyclic aminophosphonic acids HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1978-10-24 US disclosed
US-4117090-A TOOTHPASTES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1978-09-26 US disclosed
US-4117086-A TOOTHPASTES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1978-09-26 US disclosed
US-4094782-A PREVENTING SCALE AND DEPOSIT FORMATION JOH. A. BENCKISER (DT) 1978-06-13 US disclosed
US-4029697-A ANTISCALING, ANTIDEPOSIT JOH. A. BENCKISER GMBH (DT) 1977-06-14 US disclosed
US-3979385-A HEAVY METAL COMPLEXING AGENTS HENKEL & CIE G.M.B.H. (DT) 1976-09-07 US disclosed
US-3957160-A Process for the prevention of precipitations in water or aqueous solutions HENKEL & CIE G.M.B.H. (DT) 1976-05-18 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-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS PI4KA, PI4KB, PI4K2B ANPEP 1597/4885CA12 4757/4885MMP8 2987/4885

“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.