SCHEMBL998839

SCHEMBL998839

CN(C(=O)c1cc2ccccc2cc1NC(=O)C(c1cccc2ccccc12)P(=O)(O)O)C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSG P08311 9/20 0.58
MASP2 O00187 1/20 0.58
CMA1 P23946 8/20 0.57
ACP3 P15309 2/20 0.43
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PYGL P06737 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL438416 0.86 CTSG (0.51) CTSGMASP2CMA1ACP3
SCHEMBL1078569 0.80 CTSG (0.75) CTSGMASP2CMA1ACP3
SCHEMBL4140309 0.80 CMA1 (0.67) CTSGMASP2CMA1ACP3
SCHEMBL405682 0.79 CMA1 (0.63) CTSGMASP2CMA1ACP3HPGD
SCHEMBL4181576 0.78 CTSG (0.73) CTSGMASP2CMA1ACP3
SCHEMBL4144945 0.77 CMA1 (0.60) CTSGMASP2CMA1ACP3
SCHEMBL12523113 0.77 CTSG (0.72) CTSGMASP2CMA1ACP3
SCHEMBL1614762 0.77 CTSG (0.82) CTSGMASP2CMA1ACP3SIGMAR1
SCHEMBL4191174 0.76 CTSG (0.72) CTSGMASP2CMA1ACP3
SCHEMBL4189780 0.76 CTSG (0.70) CTSGMASP2CMA1ACP3

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 7 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
EP-2211867-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP 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 (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-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds CMA1, PPA1, CPN1 CTSG 166/4885MASP2 553/4885CMA1 1/4885

“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.