SCHEMBL4127070

SCHEMBL4127070

O=C(COc1c(NC(=O)C(c2cccc3ccccc23)P(=O)(O)O)ccc2ccccc12)NCCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CMA1 P23946 3/20 0.48
CTSG P08311 4/20 0.47
EPHX2 P34913 2/20 0.46
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
ACP3 P15309 3/20 0.41
MTNR1A P48039 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 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
SCHEMBL409832 0.81 CMA1 (0.55) CMA1CTSGACP3
SCHEMBL8290033 0.80 CMA1 (0.53) CMA1CTSGACP3
SCHEMBL1052277 0.75 CMA1 (0.55) CMA1CTSGEPHX2ACP3PTGES
SCHEMBL998588 0.75 CTSG (0.51) KDM4EALDH1A1CMA1CTSGEPHX2
SCHEMBL410085 0.75 CMA1 (0.46) KDM4EALDH1A1CMA1CTSGMAPT
SCHEMBL10259640 0.73 CMA1 (0.44) KDM4EALDH1A1CMA1CTSGACP3
SCHEMBL407877 0.72 CMA1 (0.58) ALDH1A1CMA1CTSGMAPTACP3
SCHEMBL10259169 0.71 CMA1 (0.43) KDM4EALDH1A1CMA1CTSGACP3
SCHEMBL409905 0.71 CMA1 (0.59) KDM4ECMA1CTSGACP3
SCHEMBL1001216 0.70 CMA1 (0.53) CMA1CTSGACP3KMT2A

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 5 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
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US 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 KDM4E 3115/4885ALDH1A1 4106/4885CMA1 1/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 KDM4E 3115/4885ALDH1A1 4106/4885CMA1 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.