SCHEMBL998504

SCHEMBL998504

O=C(Nc1cc2ccccc2cc1C(=O)N1CCC(c2ccccc2)C1)C(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 4/20 0.50
CTSG P08311 6/20 0.49
MASP2 O00187 1/20 0.49
PRSS12 P56730 2/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
ACP3 P15309 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
CCR5 P51681 1/20 0.40
SCD O00767 1/20 0.39
SCD5 Q86SK9 1/20 0.39
CYP2D6 P10635 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL997555 0.95 CTSG (0.52) CMA1CTSGMASP2PRSS12ACP3
SCHEMBL997627 0.93 CMA1 (0.47) CMA1CTSGMASP2PRSS12CACNA1B
SCHEMBL1590221 0.87 CTSG (0.61) CMA1CTSGMASP2CACNA1BAPBA1
SCHEMBL1002023 0.85 CTSG (0.48) CMA1CTSGMASP2ACP3
SCHEMBL1001651 0.84 CMA1 (0.50) CMA1CTSGMASP2ACP3PARP14
SCHEMBL1080198 0.84 CTSG (0.48) CMA1CTSGMASP2PRSS12ACP3
SCHEMBL1052408 0.83 KDM4E (0.48) CMA1CTSGMASP2KDM4EALDH1A1
SCHEMBL1000516 0.82 UBE2M (0.51) CMA1CTSGMASP2TP53ALDH1A1
SCHEMBL2748880 0.81 CTSG (0.65) CMA1CTSGMASP2ACP3PARP14
SCHEMBL4140309 0.79 CMA1 (0.67) CMA1CTSGMASP2ACP3MAPT

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.