SCHEMBL8233643

SCHEMBL8233643

C=CC[C@@H](NC(=O)OC1CCCC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
CASP1 P29466 1/20 0.36
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
CACNA1B Q00975 2/20 0.34
NAAA Q02083 2/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
FOLH1 Q04609 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CPA1 P15085 1/20 0.32

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
SCHEMBL4257792 0.82 HDAC4 (0.49) EPHX1HDAC4HDAC1ITGB3ITGAV
SCHEMBL4257798 0.82 HDAC4 (0.49) EPHX1HDAC4HDAC1ITGB3ITGAV
SCHEMBL1445009 0.81 HDAC4 (0.51) EPHX1HDAC4HDAC1ITGB3ITGAV
SCHEMBL2812234 0.81 HDAC4 (0.51) EPHX1HDAC4HDAC1ITGB3ITGAV
SCHEMBL693600 0.80 HDAC4 (0.45) EPHX1HDAC4HDAC1ITGB3ITGAV
SCHEMBL23883291 0.76 EPHX1 (0.53) EPHX1HDAC4HDAC1ITGB3ITGAV
SCHEMBL23883294 0.76 EPHX1 (0.53) EPHX1HDAC4HDAC1ITGB3ITGAV
SCHEMBL375736 0.75 CACNA1B (0.51) EPHX1HDAC4HDAC1CYP2C19CACNA1B
SCHEMBL5740541 0.75 HDAC4 (0.54) EPHX1HDAC4HDAC1ITGB3ITGAV
SCHEMBL12226142 0.75 PIN1 (0.49) EPHX1HDAC4HDAC1ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338469-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-8338469-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-7951823-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-31 US disclosed
US-7951823-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-31 US disclosed
WO-2007137080-A2 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2007-11-29 WO disclosed
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
US-20070275906-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-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 EPHX1 1875/4885HDAC4 809/4885HDAC1 455/4885
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 EPHX1 1875/4885HDAC4 809/4885HDAC1 455/4885

“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.