SCHEMBL998827

SCHEMBL998827

Nc1cc2ccccc2cc1NC(=O)C(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 9/20 0.68
CTSG P08311 6/20 0.55
ACP3 P15309 3/20 0.55
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ROCK2 O75116 1/20 0.40

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
SCHEMBL1001231 0.86 CMA1 (0.70) CMA1CTSGACP3PRSS1PRSS2
SCHEMBL4140309 0.84 CMA1 (0.67) CMA1CTSGACP3
SCHEMBL10260988 0.83 CMA1 (0.49) CMA1CTSGACP3NPC1RAB9A
SCHEMBL405682 0.81 CMA1 (0.63) CMA1CTSGACP3NPC1RAB9A
SCHEMBL4135674 0.81 CMA1 (1.00) CMA1CTSGACP3PRSS1PRSS2
SCHEMBL4144945 0.80 CMA1 (0.60) CMA1CTSGACP3PRSS1PRSS2
SCHEMBL409905 0.79 CMA1 (0.59) CMA1CTSGACP3
SCHEMBL407877 0.78 CMA1 (0.58) CMA1CTSGACP3
SCHEMBL407974 0.78 CMA1 (0.61) CMA1CTSGACP3PRSS1PRSS2
SCHEMBL997566 0.78 CMA1 (0.58) CMA1CTSGACP3PRSS1PRSS2

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 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.