SCHEMBL997555

SCHEMBL997555

O=C(Nc1cc2ccccc2cc1C(=O)N1CCC(c2ccccc2)CC1)C(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSG P08311 8/20 0.52
MASP2 O00187 1/20 0.52
CMA1 P23946 5/20 0.52
ACP3 P15309 1/20 0.42
CCR5 P51681 1/20 0.41
CYP2D6 P10635 1/20 0.40
AVPR1A P37288 1/20 0.39
PRSS12 P56730 5/20 0.39
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 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
SCHEMBL998504 0.95 CMA1 (0.50) CTSGMASP2CMA1ACP3CCR5
SCHEMBL997627 0.88 CMA1 (0.47) CTSGMASP2CMA1ACP3CYP2D6
SCHEMBL2748880 0.86 CTSG (0.65) CTSGMASP2CMA1ACP3CCR5
SCHEMBL1052408 0.86 KDM4E (0.48) CTSGMASP2CMA1
SCHEMBL1000516 0.85 UBE2M (0.51) CTSGMASP2CMA1
SCHEMBL1001651 0.84 CMA1 (0.50) CTSGMASP2CMA1ACP3PARP14
SCHEMBL1002023 0.83 CTSG (0.48) CTSGMASP2CMA1ACP3
SCHEMBL1080198 0.82 CTSG (0.48) CTSGMASP2CMA1ACP3PRSS12
SCHEMBL999784 0.82 MEN1 (0.47) CTSGMASP2CMA1CYP2D6
SCHEMBL1590221 0.81 CTSG (0.61) CTSGMASP2CMA1ACP3CCR5

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