SCHEMBL998620

SCHEMBL998620

CP(=O)(O)C(C(=O)Nc1ccc2ccccc2c1)c1c(C(=O)N2CCC(c3ccc(F)cc3)CC2)sc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 6/20 0.48
CMA1 P23946 9/20 0.45
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
CTSG P08311 1/20 0.38
PRSS3 P35030 1/20 0.38
CCR1 P32246 1/20 0.38
MCHR1 Q99705 1/20 0.37
MAPK14 Q16539 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL404207 0.94 CMA1 (0.48) PRSS12CMA1LMNAMAPTPRSS1
SCHEMBL4132750 0.92 PRSS12 (0.50) PRSS12CMA1PRSS1PRSS2CTSG
SCHEMBL10260371 0.84 PRSS12 (0.43) PRSS12CMA1LMNAMAPK14
SCHEMBL4139599 0.84 PRSS12 (0.45) PRSS12CMA1LMNAMAPTSMN1; SMN2
SCHEMBL998624 0.79 CMA1 (0.46) CMA1LMNAMAPTSMN1; SMN2PRSS1
SCHEMBL999165 0.78 CMA1 (0.60) CMA1LMNAMAPTSMN1; SMN2PRSS1
SCHEMBL4132747 0.77 PRSS12 (0.47) PRSS12SMN1; SMN2MCHR1MAPK14
SCHEMBL1000593 0.74 CMA1 (0.54) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL13952745 0.70 CMA1 (0.42) CMA1LMNAMAPTSMN1; SMN2PRSS1
SCHEMBL10260556 0.67 CMA1 (0.50) CMA1MAPTPRSS1PRSS2CTSG

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 PRSS12 563/4885CMA1 1/4885LMNA 3799/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 PRSS12 563/4885CMA1 1/4885LMNA 3799/4885

“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.