SCHEMBL5533217

SCHEMBL5533217

COC(=O)c1ccc(C(=O)NC2CCCCC2)c(NC(=O)c2sc3ccccc3c2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
PRSS12 P56730 14/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
F10 P00742 2/20 0.52

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
SCHEMBL5539950 0.90 PRSS12 (0.67) MAPTPRSS12MEN1ALDH1A1LMNA
SCHEMBL2724943 0.84 PRSS12 (0.73) MAPTPRSS12
SCHEMBL15295703 0.80 PRSS12 (0.71) MAPTPRSS12F10
SCHEMBL3457719 0.79 RAB9A (0.87) MAPTMEN1ALDH1A1LMNAPOLB
SCHEMBL15295615 0.79 PRSS12 (0.61) MAPTPRSS12F10
SCHEMBL2725087 0.78 MAPT (0.69) MAPTPRSS12F10
SCHEMBL2722191 0.77 PRSS12 (0.59) MAPTPRSS12F10
SCHEMBL15295591 0.76 PRSS12 (0.80) PRSS12F10
SCHEMBL2721359 0.75 MAPT (0.61) MAPTPRSS12F10
SCHEMBL2724932 0.75 F10 (0.62) MAPTPRSS12F10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 MAPT 1060/4885PRSS12 5/4885MEN1 3294/4885

“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.