SCHEMBL2724682

SCHEMBL2724682

COC(=O)c1ccc(C(=O)Nc2nccs2)cc1NC(=O)c1sc2ccccc2c1Cl

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 17/20 0.82
MAPT P10636 3/20 0.68
KDM4E B2RXH2 2/20 0.68
NPC1 O15118 2/20 0.68
LMNA P02545 2/20 0.68
HPGD P15428 2/20 0.68
RAB9A P51151 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HTT P42858 1/20 0.68
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
OPRK1 P41145 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL5534570 0.90 PRSS12 (1.00) PRSS12MAPTKDM4ENPC1LMNA
SCHEMBL15295703 0.83 PRSS12 (0.71) PRSS12MAPT
SCHEMBL15295591 0.83 PRSS12 (0.80) PRSS12
SCHEMBL2721976 0.82 PRSS12 (0.56) PRSS12MAPTKDM4ENPC1LMNA
SCHEMBL15295615 0.80 PRSS12 (0.61) PRSS12MAPT
SCHEMBL2724943 0.79 PRSS12 (0.73) PRSS12MAPT
SCHEMBL2721359 0.78 MAPT (0.61) PRSS12MAPT
SCHEMBL2724932 0.78 F10 (0.62) PRSS12MAPT
SCHEMBL2721473 0.76 PRSS12 (0.64) PRSS12MAPT
SCHEMBL2724233 0.76 PRSS12 (0.58) PRSS12MAPT

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-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
EP-2635559-A2 NEUROTRYPSIN INHIBITORS Neurotune AG (CH) 2013-09-11 EP disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO 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 PRSS12 5/4885MAPT 1060/4885KDM4E 3685/4885

“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.