SCHEMBL998923

SCHEMBL998923

O=C(Nc1cnc2ccccc2c1)C(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 6/20 0.69
KDR P35968 4/20 0.53
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
KDM4E B2RXH2 4/20 0.52
MITF O75030 1/20 0.52
XBP1 P17861 1/20 0.52
PAX8 Q06710 1/20 0.52
KLF5 Q13887 1/20 0.52
ACP1 P24666 1/20 0.52
ALDH1A1 P00352 3/20 0.50
TRPV1 Q8NER1 2/20 0.50
CTSG P08311 1/20 0.50
ACP3 P15309 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HPGD P15428 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
SCHEMBL3655410 0.86 CMA1 (0.73) CMA1NPC1RAB9AALDH1A1CTSG
SCHEMBL4135674 0.82 CMA1 (1.00) CMA1NPC1RAB9ACTSGACP3
SCHEMBL4140049 0.80 CMA1 (0.67) CMA1CTSGACP3
SCHEMBL3655681 0.79 CMA1 (0.65) CMA1NPC1RAB9ACTSGACP3
SCHEMBL1048321 0.78 CMA1 (0.74) CMA1NPC1RAB9AMITFALDH1A1
SCHEMBL1052067 0.78 CMA1 (0.75) CMA1KDM4EALDH1A1CTSGACP3
SCHEMBL4140309 0.75 CMA1 (0.67) CMA1CTSGACP3MAPTHSD17B10
SCHEMBL3653745 0.75 CMA1 (0.73) CMA1NPC1RAB9ACTSGACP3
SCHEMBL4152118 0.75 CMA1 (0.73) CMA1NPC1RAB9ACTSGACP3
SCHEMBL1001231 0.75 CMA1 (0.70) CMA1CTSGACP3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS ANZALONE LUIGI (US) 2012-10-11 US claimed
JP-2011500682-A 2011-01-06 JP claimed
EP-2211867-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP claimed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US claimed
WO-2009051746-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO claimed
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS ANZALONE LUIGI (US) 2012-10-11 US disclosed
US-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 US disclosed
EP-2211867-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP disclosed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US disclosed
WO-2009051746-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 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 (2 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-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds CMA1, PPA1, CPN1 CMA1 1/4885KDR 3980/4885NPC1 2241/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 CMA1 1/4885KDR 3980/4885NPC1 2241/4885

“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.