SCHEMBL2164198

SCHEMBL2164198

CCC(C)N(CC(=O)O)Cc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MMP3 P08254 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8325647 0.86 KMT2A (0.40) PTGS2TP53KMT2AMEN1HSP90AA1
SCHEMBL8421338 0.79 PTGS2 (0.48) PTGS2TP53KMT2AMEN1HSP90AA1
SCHEMBL6670969 0.79 KDM4E (0.45) PTGS2TP53KMT2AMEN1HSP90AA1
SCHEMBL8326095 0.77 KDM4E (0.44) PTGS2TP53KMT2AMEN1HSP90AA1
Hydrochloric Acid SCHEMBL7645327 0.77 KDM4E (0.44) PTGS2TP53KMT2AMEN1HSP90AA1
SCHEMBL8531370 0.76 PTGS2 (0.46) PTGS2MAPK1TP53KMT2AMEN1
SCHEMBL7772904 0.76 KMT2A (0.37) PTGS2TP53KMT2AMEN1HSP90AA1
SCHEMBL9781255 0.75 MAPK1 (0.43) PTGS2MAPK1TP53KMT2AMEN1
SCHEMBL6716017 0.74 L3MBTL1 (0.45) PTGS2TP53KMT2AMEN1HSP90AA1
SCHEMBL8325511 0.74 MAPK1 (0.39) PTGS2MAPK1TP53KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 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 (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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 PTGS2 2947/4885MAPK1 971/4885TP53 396/4885

“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.