Diphosphomethylphosphonic Acid Adenosyl Ester

Diphosphomethylphosphonic Acid Adenosyl Ester

SCHEMBL2345274

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 6/20 1.00
▸ P2RX1 P51575 3/20 1.00
▸ P2RX3 P56373 3/20 1.00
▸ TSHR P16473 1/20 0.85
▸ KDM4E B2RXH2 1/20 0.85
▸ LMNA P02545 1/20 0.85
▸ BLM P54132 1/20 0.85
▸ PLCG1 P19174 1/20 0.84
▸ NT5E P21589 1/20 0.84
▸ P2RY1 P47900 4/20 0.80
▸ P2RY2 P41231 4/20 0.80
▸ SRC P12931 2/20 0.80
▸ SMN1; SMN2 Q16637 2/20 0.80
▸ P2RY11 Q96G91 2/20 0.80
▸ TRPM2 O94759 2/20 0.80
▸ DNPH1 O43598 1/20 0.80
▸ PRKAB2 O43741 1/20 0.80
▸ LDHA P00338 1/20 0.80
▸ ADRB2 P07550 1/20 0.80
▸ FBP1 P09467 1/20 0.80

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
Diphosphomethylphosphonic Acid Adenosyl Ester SCHEMBL29428268 1.00 ENPP1 (1.00) ENPP1P2RX1P2RX3TSHRKDM4E
SCHEMBL18351578 0.95 ENPP1 (0.92) ENPP1P2RX1P2RX3TSHRKDM4E
SCHEMBL16674879 0.95 ENPP1 (0.92) ENPP1P2RX1P2RX3TSHRKDM4E
SCHEMBL22918310 0.93 ENPP1 (1.00) ENPP1P2RX1P2RX3TSHRKDM4E
SCHEMBL21362894 0.93 ENPP1 (1.00) ENPP1P2RX1P2RX3TSHRKDM4E
SCHEMBL21362946 0.93 ENPP1 (0.86) ENPP1P2RX1P2RX3TSHRKDM4E
SCHEMBL16351392 0.93 ENPP1 (1.00) ENPP1P2RX1P2RX3TSHRKDM4E
SCHEMBL16351407 0.92 ENPP1 (0.85) ENPP1P2RX1P2RX3TSHRKDM4E
SCHEMBL29941042 0.92 ENPP1 (0.90) ENPP1P2RX1P2RX3TSHRKDM4E
SCHEMBL16674886 0.92 P2RX1 (0.93) ENPP1P2RX1P2RX3TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039290-A P2X3 modulators 葛兰素史密斯克莱知识产权(第3号)有限公司 2024-11-29 — — CN disclosed
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 — — EP disclosed
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 — — WO disclosed
US-8008274-B2 P1-(2′-deoxycytidine 5′-)P4-(uridine 5′-)tetraphosphate, tetra-(alkali metal) salt, for treating sinusitis INSPIRE PHARMACEUTICALS, INC. (US) 2011-08-30 — — US disclosed
US-20090306010-A1 P1-(2'-DEOXYCYTIDINE 5'-)P4-(URIDINE 5'-)TETRAPHOSPHATE, TETRA-(ALKALI METAL) SALT, FOR TREATING DISORDERS MERCK SHARP & DOHME CORP. 2009-12-10 — — US disclosed
US-7531525-B2 P1-(2′-deoxycytidine 5′-)P4-(uridine 5′-)tetraphosphate, tetra-(alkali metal) salt, for treating cystic fibrosis INSPIRE PHARMACEUTICALS, INC. (US) 2009-05-12 — — US disclosed
US-20070197454-A1 P1-(2'-DEOXYCYTIDINE 5'-)P4-(URIDINE 5'-)TETRAPHOSPHATE, TETRA-(ALKALI METAL) SALT, FOR TREATING DISORDERS MERCK SHARP & DOHME LLC 2007-08-23 — — US disclosed
US-7223744-B2 Pharmaceutical formulation comprising dinucleoside polyphosphates and salts thereof INSPIRE PHARMACEUTICALS, INC. (US) 2007-05-29 — — US disclosed
US-7078391-B2 Method of treating edematous retinal disorders INSPIRE PHARMACEUTICALS, INC. (US) 2006-07-18 — — US disclosed
US-20050085439-A1 Pharmaceutical formulation comprising dinucleoside polyphosphates and salts thereof MERCK SHARP & DOHME LLC 2005-04-21 — — US disclosed
US-6818629-B2 ADMINISTRATION OF A PHARMACEUTICAL FORMULATION COMPRISING A HYDROLYSIS-RESISTANT P2Y RECEPTOR AGONIST TO STIMULATE THE REMOVAL OF PATHOLOGICAL EXTRANEOUS FLUID FROM THE SUBRETINAL AND RETINAL SPACES; DINUCLEOSIDE POLYPHOSPHATE COMPOUND INSPIRE PHARMACEUTICALS, INC. 2004-11-16 — — US disclosed
US-20040077585-A1 Method of treating edematous retinal disorders MERCK SHARP & DOHME LLC 2004-04-22 — — US disclosed
US-20030186917-A1 Method of treating edematous retinal disorders MERCK SHARP & DOHME CORP. 2003-10-02 — — 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 (5 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-20040077585-A1 Method of treating edematous retinal disorders P2RY1, P2RY11, P2RY2 ENPP1 28/4885P2RX1 13/4885P2RX3 9/4885
US-20050085439-A1 Pharmaceutical formulation comprising dinucleoside polyphosphates and salts thereof P2RY1, P2RY11, P2RY6 ENPP1 33/4885P2RX1 13/4885P2RX3 11/4885
US-20030186917-A1 Method of treating edematous retinal disorders P2RY1, P2RY11, P2RY2 ENPP1 28/4885P2RX1 13/4885P2RX3 9/4885
US-20070197454-A1 P1-(2'-DEOXYCYTIDINE 5'-)P4-(URIDINE 5'-)TETRAPHOSPHATE, TETRA-(ALKALI METAL) SALT, FOR TREATING DISORDERS P2RY1, P2RY4, P2RY6 ENPP1 39/4885P2RX1 6/4885P2RX3 10/4885
US-20090306010-A1 P1-(2'-DEOXYCYTIDINE 5'-)P4-(URIDINE 5'-)TETRAPHOSPHATE, TETRA-(ALKALI METAL) SALT, FOR TREATING DISORDERS P2RY1, P2RY4, P2RY2 ENPP1 41/4885P2RX1 8/4885P2RX3 9/4885

“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.

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