SCHEMBL3708423

SCHEMBL3708423

COC(=O)CCCCCNCc1cc2ccccc2cc1NC(=O)C(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 7/20 0.50
CTSG P08311 4/20 0.41
ACP3 P15309 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
PTGER4 P35408 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL997687 0.88 CMA1 (0.54) CMA1CTSGACP3PTGER4
SCHEMBL997566 0.81 CMA1 (0.58) CMA1CTSGACP3PTGER4
SCHEMBL3654937 0.76 CMA1 (0.57) CMA1CTSGACP3CYP1A2CYP2C19
SCHEMBL1052617 0.75 CMA1 (0.55) CMA1CTSGACP3PTGER4
SCHEMBL405682 0.74 CMA1 (0.63) CMA1CTSGACP3PTGER4
SCHEMBL409081 0.74 CMA1 (0.54) CMA1CTSGACP3
SCHEMBL1052837 0.74 CMA1 (0.52) CMA1CTSGACP3
SCHEMBL1001626 0.73 CMA1 (0.53) CMA1CTSGACP3PTGER4
SCHEMBL408723 0.73 CMA1 (0.53) CMA1CTSGACP3
SCHEMBL1052277 0.73 CMA1 (0.55) CMA1CTSGACP3PPARG

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
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
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 CMA1 1/4885CTSG 166/4885ACP3 64/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 CMA1 1/4885CTSG 166/4885ACP3 64/4885

“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.