SCHEMBL1083649

SCHEMBL1083649

O=C(Nc1ccc(Oc2ccccc2)cc1)OCc1cc2ccccc2cc1NC(=O)C(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 8/20 0.56
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
CRHBP P24387 1/20 0.42
RAB9A P51151 1/20 0.42
CRHR2 Q13324 1/20 0.42
CTSG P08311 6/20 0.41
ACP3 P15309 1/20 0.41
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL3700522 0.94 CMA1 (0.58) CMA1HPGDCTSGACP3SMN1; SMN2
SCHEMBL1048549 0.91 CMA1 (0.69) CMA1NPC1RAB9ACTSGACP3
SCHEMBL408723 0.85 CMA1 (0.53) CMA1CTSGACP3
SCHEMBL1048321 0.78 CMA1 (0.74) CMA1HPGDNPC1RAB9ACTSG
SCHEMBL407974 0.78 CMA1 (0.61) CMA1CTSGACP3KMT2APRSS1
SCHEMBL997566 0.76 CMA1 (0.58) CMA1CTSGACP3PRSS1PRSS2
SCHEMBL10260917 0.74 CMA1 (0.41) CMA1HPGDCTSGACP3MEN1
SCHEMBL407877 0.74 CMA1 (0.58) CMA1CTSGACP3
SCHEMBL4140309 0.74 CMA1 (0.67) CMA1CTSGACP3PTGER4
SCHEMBL1001625 0.73 CTSG (0.57) CMA1CTSGACP3PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 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
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 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 (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 1/4885HPGD 3006/4885NPC1 2241/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 CMA1 1/4885HPGD 3006/4885NPC1 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.