SCHEMBL9917820

SCHEMBL9917820

COOC(C)[C@H](C)NP(=O)(Cl)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
SRC P12931 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ANPEP P15144 1/20 0.35
LAP3 P28838 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 2/20 0.35
RECQL P46063 1/20 0.34
BTN3A1 O00481 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
SCHEMBL20110445 0.83 MEN1 (0.45) NPSR1MEN1KMT2APKMHTT
SCHEMBL20110437 0.83 MEN1 (0.45) NPSR1MEN1KMT2APKMHTT
SCHEMBL13921741 0.79 MEN1 (0.47) NPSR1MEN1KMT2APKMHTT
SCHEMBL30087363 0.78 L3MBTL1 (0.43) NPSR1MEN1KMT2APKMHTT
SCHEMBL18831779 0.75 ANPEP (0.40) NPSR1MEN1KMT2APKMHTT
SCHEMBL25387275 0.75 BTN3A1 (0.53) NPSR1MEN1KMT2ASRCL3MBTL1
SCHEMBL12870471 0.75 BTN3A1 (0.53) NPSR1MEN1KMT2ASRCL3MBTL1
SCHEMBL23992574 0.75 BTN3A1 (0.53) NPSR1MEN1KMT2ASRCL3MBTL1
SCHEMBL800889 0.75 BTN3A1 (0.53) NPSR1MEN1KMT2ASRCL3MBTL1
SCHEMBL23044635 0.74 MEN1 (0.43) NPSR1MEN1KMT2APKMHTT

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
WO-2012078416-A2 MONOPHOSPHATE PRODRUGS OF DAPD AND ANALOGS THEREOF RFS PHARMA, LLC (US) 2012-06-14 WO disclosed
US-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS EMORY UNIVERSITY (US) 2012-02-16 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-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS PNP, HAVCR2, TYMP NPSR1 2162/4885MEN1 2253/4885KMT2A 2934/4885

“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.