SCHEMBL12440455

SCHEMBL12440455

CCNS(=O)(=O)c1ccc(CC(=O)OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.60
KDM4E B2RXH2 2/20 0.60
NPC1 O15118 1/20 0.60
GAA P10253 1/20 0.60
HPGD P15428 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
LMNA P02545 5/20 0.57
TSHR P16473 3/20 0.57
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
CYP2C9 P11712 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL166809 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ELMNATSHRCYP2C9
SCHEMBL24032613 0.83 SMN1; SMN2 (0.59) ALDH1A1KDM4ENPC1GAAHPGD
SCHEMBL16801098 0.82 ALDH1A1 (0.72) ALDH1A1KDM4ENPC1GAAHPGD
SCHEMBL2767340 0.82 CTSG (0.49) ALDH1A1KDM4ENPC1GAAHPGD
SCHEMBL184666 0.81 CYP4F2 (0.56) ALDH1A1KDM4ENPC1GAAHPGD
SCHEMBL257153 0.81 MMP9 (0.57) ALDH1A1KDM4ENPC1GAAHPGD
SCHEMBL20981392 0.80 KEAP1 (0.63) ALDH1A1KDM4ENPC1GAAHPGD
SCHEMBL14400769 0.80 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1GAAHPGD
SCHEMBL1096091 0.80 CYP4F2 (0.58) ALDH1A1KDM4ENPC1GAAHPGD
SCHEMBL11511836 0.78 ALDH1A1 (0.83) ALDH1A1KDM4ENPC1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 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-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 ALDH1A1 3792/4885KDM4E 4550/4885NPC1 612/4885
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 ALDH1A1 3828/4885KDM4E 4546/4885NPC1 607/4885

“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.