SCHEMBL997627

SCHEMBL997627

O=C(Nc1cc2ccccc2cc1C(=O)N1CCC(c2ccncc2)C1)C(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 4/20 0.47
CTSG P08311 6/20 0.45
MASP2 O00187 1/20 0.45
NAMPT P43490 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
PRSS12 P56730 2/20 0.39
ACP3 P15309 1/20 0.39
SPR P35270 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
ACACB O00763 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKG1 Q13976 1/20 0.36
CYP2D6 P10635 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
SCHEMBL998504 0.93 CMA1 (0.50) CMA1CTSGMASP2CACNA1BAPBA1
SCHEMBL997555 0.88 CTSG (0.52) CMA1CTSGMASP2PRSS12ACP3
SCHEMBL1000516 0.81 UBE2M (0.51) CMA1CTSGMASP2CYP2C9ALDH1A1
SCHEMBL1002023 0.81 CTSG (0.48) CMA1CTSGMASP2NAMPTACP3
SCHEMBL1590221 0.80 CTSG (0.61) CMA1CTSGMASP2CACNA1BAPBA1
SCHEMBL1052408 0.80 KDM4E (0.48) CMA1CTSGMASP2SPRALDH1A1
SCHEMBL1080198 0.80 CTSG (0.48) CMA1CTSGMASP2PRSS12ACP3
SCHEMBL1001651 0.78 CMA1 (0.50) CMA1CTSGMASP2ACP3
SCHEMBL999784 0.78 MEN1 (0.47) CMA1CTSGMASP2ALDH1A1CYP2D6
SCHEMBL1051338 0.75 HSD11B1 (0.49)

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 8 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
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 CMA1 1/4885CTSG 166/4885MASP2 553/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 CMA1 1/4885CTSG 166/4885MASP2 553/4885

“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.