SCHEMBL1052408

SCHEMBL1052408

O=C(Nc1cc2ccccc2cc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1)C(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
BRD4 O60885 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
CREBBP Q92793 1/20 0.48
CMA1 P23946 3/20 0.47
CTSG P08311 4/20 0.46
MASP2 O00187 1/20 0.46
HSD11B1 P28845 1/20 0.46
CCR2 P41597 7/20 0.42
SPR P35270 5/20 0.41

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
SCHEMBL997555 0.86 CTSG (0.52) CMA1CTSGMASP2
SCHEMBL998504 0.83 CMA1 (0.50) KDM4EALDH1A1CMA1CTSGMASP2
SCHEMBL1051338 0.81 HSD11B1 (0.49) HSD11B1
SCHEMBL1000516 0.80 UBE2M (0.51) ALDH1A1POLBCMA1CTSGMASP2
SCHEMBL997627 0.80 CMA1 (0.47) ALDH1A1CMA1CTSGMASP2SPR
SCHEMBL999784 0.79 MEN1 (0.47) KDM4EALDH1A1CMA1CTSGMASP2
SCHEMBL1002023 0.77 CTSG (0.48) CMA1CTSGMASP2SPR
SCHEMBL438837 0.76 AVPR1A (0.48) CMA1CTSGMASP2HSD11B1
SCHEMBL1080198 0.76 CTSG (0.48) CMA1CTSGMASP2SPR
SCHEMBL1001651 0.74 CMA1 (0.50) CMA1CTSGMASP2

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-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
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 KDM4E 3115/4885BRD4 4211/4885ALDH1A1 4106/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 KDM4E 3115/4885BRD4 4211/4885ALDH1A1 4106/4885

“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.