SCHEMBL5378658

SCHEMBL5378658

O=P(O)(O)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.48
ITPR3 Q14573 4/20 0.47
ITPR2 Q14571 1/20 0.47
ITPR1 Q14643 1/20 0.47

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
SCHEMBL5381912 1.00 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL4595256 1.00 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL7796118 1.00 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL4596697 1.00 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL30237668 0.93 SMPD1 (0.54) SMPD1ITPR3ITPR2ITPR1
SCHEMBL7798872 0.87 SMPD1 (0.50) SMPD1ITPR3ITPR2ITPR1
SCHEMBL4191662 0.87 SMPD1 (0.50) SMPD1ITPR3ITPR2ITPR1
SCHEMBL4442196 0.87 SMPD1 (0.50) SMPD1ITPR3ITPR2ITPR1
SCHEMBL31076318 0.86 ADORA1 (0.43) SMPD1ITPR3ITPR2ITPR1
SCHEMBL31076275 0.86 ADORA1 (0.43) SMPD1ITPR3ITPR2ITPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309567-B1 Method for reducing fluorescence quenching in bioassays CIS BIO INTERNATIONAL (FR) 2007-12-18 US disclosed
US-20050239073-A1 Fluorescent entity comprising a fluorophore covalently attached to at least one oligonucleotide and comprising at least one functional group, and uses thereof CIS BIO INTERNATIONAL (FR) 2005-10-27 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-20050239073-A1 Fluorescent entity comprising a fluorophore covalently attached to at least one oligonucleotide and comprising at least one functional group, and uses thereof INCENP, SLCO2A1, CARS1 SMPD1 3569/4885ITPR3 763/4885ITPR2 1271/4885

“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.