SCHEMBL4132750

SCHEMBL4132750

COc1ccc(C2CCN(C(=O)c3sc4ccccc4c3C(C(=O)Nc3ccc4ccccc4c3)P(C)(=O)O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 6/20 0.50
CMA1 P23946 9/20 0.45
TRPC3 Q13507 1/20 0.44
TRPC6 Q9Y210 1/20 0.44
MCHR1 Q99705 1/20 0.40
HSD11B1 P28845 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
FASN P49327 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
SCHEMBL404207 0.94 CMA1 (0.48) PRSS12CMA1TRPC3TRPC6PRSS1
SCHEMBL998620 0.92 PRSS12 (0.48) PRSS12CMA1MCHR1PRSS1PRSS2
SCHEMBL10260371 0.85 PRSS12 (0.43) PRSS12CMA1TRPC3TRPC6
SCHEMBL4132747 0.84 PRSS12 (0.47) PRSS12TRPC3TRPC6MCHR1HSD11B1
SCHEMBL998624 0.81 CMA1 (0.46) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999165 0.78 CMA1 (0.60) CMA1NPC1RAB9APRSS1PRSS2
SCHEMBL4139599 0.76 PRSS12 (0.45) PRSS12CMA1MCHR1NPC1
SCHEMBL1000593 0.74 CMA1 (0.54) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL13952745 0.70 CMA1 (0.42) CMA1TRPC3TRPC6NPC1RAB9A
SCHEMBL3220314 0.69 PRSS12 (0.49) PRSS12TRPC3TRPC6HSD11B1RAB9A

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 5 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
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US 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 1/4885TRPC3 4652/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 PRSS12 563/4885CMA1 1/4885TRPC3 4652/4885

“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.