SCHEMBL4132747

SCHEMBL4132747

COc1ccc(C2CCN(C(=O)c3sc4ccccc4c3C(C[PH](=O)O)C(=O)Nc3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 6/20 0.47
TRPC3 Q13507 1/20 0.41
TRPC6 Q9Y210 1/20 0.41
MCHR1 Q99705 1/20 0.41
HSD11B1 P28845 1/20 0.38
DRD2 P14416 2/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
FASN P49327 2/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4139599 0.92 PRSS12 (0.45) PRSS12MCHR1NPC1UBE2MDCUN1D1
SCHEMBL4132750 0.84 PRSS12 (0.50) PRSS12TRPC3TRPC6MCHR1HSD11B1
SCHEMBL999164 0.78 CMA1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL404207 0.78 CMA1 (0.48) PRSS12TRPC3TRPC6MAPK14MEN1
SCHEMBL10260371 0.77 PRSS12 (0.43) PRSS12TRPC3TRPC6MAPK14MEN1
SCHEMBL998620 0.77 PRSS12 (0.48) PRSS12MCHR1MAPK14SMN1; SMN2
SCHEMBL1000592 0.74 SENP5 (0.50) NPC1RAB9A
SCHEMBL3220314 0.68 PRSS12 (0.49) PRSS12TRPC3TRPC6HSD11B1DRD2
SCHEMBL998624 0.67 CMA1 (0.46) SMN1; SMN2
SCHEMBL941582 0.67 CMA1 (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 563/4885TRPC3 4652/4885TRPC6 3436/4885
US-20120259130-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS CMA1, PPA1, CPN1 PRSS12 563/4885TRPC3 4652/4885TRPC6 3436/4885

“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.