SCHEMBL213019

SCHEMBL213019

CCCCC(O)OP(=O)(O)OC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.45
SMPD1 P17405 3/20 0.43
PLA2G2A P14555 1/20 0.41
PTPN1 P18031 1/20 0.38
LAP3 P28838 2/20 0.37
S1PR2 O95136 5/20 0.37
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 5/20 0.37
S1PR4 O95977 4/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL212016 0.82 FDPS (0.42) FDPSSMPD1PTPN1LAP3CA1
SCHEMBL210519 0.82 SMPD1 (0.57) FDPSSMPD1PTPN1LAP3S1PR2
SCHEMBL28818847 0.79 TSHR (0.40) FDPSSMPD1PLA2G2ALAP3CA1
SCHEMBL8609842 0.79 FDPS (0.46) FDPSSMPD1PTPN1LAP3CA1
SCHEMBL4059932 0.77 SMPD1 (0.56) FDPSSMPD1PTPN1LAP3S1PR2
SCHEMBL7840417 0.77 SMPD1 (0.56) FDPSSMPD1PTPN1LAP3S1PR2
SCHEMBL8682289 0.76 SMPD1 (0.66) FDPSSMPD1PTPN1LAP3S1PR2
SCHEMBL24922980 0.76 SMPD1 (0.55) FDPSSMPD1PLA2G2APTPN1LAP3
SCHEMBL22503349 0.76 SMPD1 (0.55) FDPSSMPD1PLA2G2APTPN1LAP3
SCHEMBL26273842 0.76 SMPD1 (0.55) FDPSSMPD1PLA2G2APTPN1LAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 FDPS 3701/4885SMPD1 235/4885PLA2G2A 584/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 FDPS 3701/4885SMPD1 235/4885PLA2G2A 584/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 FDPS 3701/4885SMPD1 235/4885PLA2G2A 584/4885

“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.