SCHEMBL6846537

SCHEMBL6846537

COc1cc(/C=C/c2cc(CNc3cccc(C(=O)O)c3)[nH]n2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.54
APP P05067 7/20 0.53
MAPT P10636 5/20 0.53
PTGS2 P35354 3/20 0.53
PRKCE Q02156 3/20 0.53
PRKCQ Q04759 3/20 0.53
PRKCD Q05655 3/20 0.53
CAMK2A Q9UQM7 3/20 0.53
ALOX5 P09917 2/20 0.53
ALOX12 P18054 2/20 0.53
NFKB1 P19838 2/20 0.53
STAT3 P40763 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
KDR P35968 1/20 0.53
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49

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
SCHEMBL6846545 1.00 MMP9 (0.54) MMP9APPMAPTPTGS2PRKCE
SCHEMBL6844751 0.83 MMP9 (0.46) MMP9APPMAPTPTGS2PRKCE
SCHEMBL6844746 0.83 MMP9 (0.46) MMP9APPMAPTPTGS2PRKCE
SCHEMBL6848216 0.77 MEN1 (0.54) MMP9APPMAPTPTGS2PRKCE
SCHEMBL6848212 0.77 MEN1 (0.54) MMP9APPMAPTPTGS2PRKCE
SCHEMBL9553564 0.76 MMP9 (0.74) MMP9APPMAPTPTGS2PRKCE
SCHEMBL6846508 0.76 MMP9 (0.74) MMP9APPMAPTPTGS2PRKCE
SCHEMBL6846511 0.76 MMP9 (0.74) MMP9APPMAPTPTGS2PRKCE
SCHEMBL6848339 0.75 APP (0.70) MMP9APPMAPTPTGS2PRKCE
SCHEMBL6841454 0.75 MMP9 (0.73) MMP9APPMAPTPTGS2PRKCE

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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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 (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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MMP9 1178/4885APP 1186/4885MAPT 899/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MMP9 1178/4885APP 1186/4885MAPT 899/4885

“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.