SCHEMBL1000516

SCHEMBL1000516

O=C(Nc1cc2ccccc2cc1C(=O)N1CCC(c2nc3ccccc3s2)CC1)C(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 12/20 0.51
DCUN1D1 Q96GG9 12/20 0.51
LMNA P02545 4/20 0.51
TP53 P04637 3/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL1589567 0.89 CTSG (0.55) UBE2MDCUN1D1LMNATP53POLB
SCHEMBL997555 0.85 CTSG (0.52) CMA1MASP2CTSG
SCHEMBL998504 0.82 CMA1 (0.50) TP53MAPTALDH1A1HSD17B10CMA1
SCHEMBL997627 0.81 CMA1 (0.47) LMNAALDH1A1CYP2C9CMA1MASP2
SCHEMBL1052408 0.80 KDM4E (0.48) POLBALDH1A1CMA1MASP2CTSG
SCHEMBL999784 0.80 MEN1 (0.47) MAPTALDH1A1MEN1CYP3A4CYP2C19
SCHEMBL1002023 0.76 CTSG (0.48) CMA1MASP2CTSG
SCHEMBL1080198 0.76 CTSG (0.48) CMA1MASP2CTSG
SCHEMBL1051338 0.75 HSD11B1 (0.49) CYP3A4
SCHEMBL1001651 0.74 CMA1 (0.50) CMA1MASP2CTSG

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 UBE2M 1939/4885DCUN1D1 1292/4885LMNA 3799/4885

“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.