SCHEMBL4845792

SCHEMBL4845792

CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.N=P(O)(O)OP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
LPAR3 Q9UBY5 4/20 0.38
LPAR2 Q9HBW0 3/20 0.38
LPAR1 Q92633 2/20 0.38
FDPS P14324 1/20 0.38
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
SMPD1 P17405 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GGPS1 O95749 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
Pyrophosphoric Acid SCHEMBL288516 0.88 MMP1 (0.47) MMP1MMP2MMP3MMP8LPAR3
Pyrophosphoric Acid SCHEMBL490709 0.88 MMP1 (0.47) MMP1MMP2MMP3MMP8LPAR3
Pyrophosphoric Acid SCHEMBL73402 0.88 MMP1 (0.47) MMP1MMP2MMP3MMP8LPAR3
Pyrophosphoric Acid SCHEMBL73401 0.88 MMP1 (0.47) MMP1MMP2MMP3MMP8LPAR3
Triphosphate SCHEMBL5052598 0.84 MMP1 (0.44) MMP1MMP2MMP3MMP8LPAR3
Triphosphate SCHEMBL5052601 0.84 MMP1 (0.44) MMP1MMP2MMP3MMP8LPAR3
Pyrophosphoric Acid SCHEMBL28344128 0.82 LPAR3 (0.47) MMP1MMP2MMP3MMP8LPAR3
Pyrophosphoric Acid SCHEMBL9547118 0.80 LPAR3 (0.50) LPAR3LPAR2LPAR1FDPSSMPD1
Pyrophosphoric Acid SCHEMBL9547107 0.80 LPAR3 (0.50) LPAR3LPAR2LPAR1FDPSSMPD1
Phosphoric Acid SCHEMBL310173 0.79 MMP1 (0.54) MMP1MMP2MMP3MMP8LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348315-B2 Methods of treating heart failure with modified ATP, ADP and AMP compounds THE UNIVERSITY OF CONNECTICUT (US) 2008-03-25 US disclosed
US-20030186929-A1 Methods of treating heart failure with modified ATP, ADP and AMP compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-10-02 US disclosed
US-6255292-B1 INCREASING CELLULAR CONTRACTIONS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-07-03 US disclosed
WO-1996029345-A1 NOVEL INOTROPIC AGENTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-09-26 WO 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-20030186929-A1 Methods of treating heart failure with modified ATP, ADP and AMP compounds ATP5MF, ATP5MG, ATP2A1 MMP1 1375/4885MMP2 2045/4885MMP3 2169/4885

“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.