SCHEMBL1202249

SCHEMBL1202249

CCOC(=O)C(CC(C)C)c1ccc(OCC2CC2)c(-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.49
PTGDR2 Q9Y5Y4 3/20 0.42
APP P05067 2/20 0.42
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL12877821 0.90 APP (0.52) BRD4PTGDR2APPCTSSCTSK
SCHEMBL1202341 0.88 APP (0.48) BRD4APP
SCHEMBL1202688 0.88 APP (0.46) BRD4APP
SCHEMBL1201622 0.88 APP (0.45) BRD4PTGDR2APP
SCHEMBL1203008 0.87 APP (0.43) BRD4PTGDR2APP
SCHEMBL1202972 0.86 APP (0.43) BRD4PTGDR2APP
SCHEMBL1202280 0.86 APP (0.43) BRD4APP
SCHEMBL1202951 0.86 APP (0.44) BRD4APPCTSSCTSK
SCHEMBL8044676 0.85 APP (0.59) PTGDR2APP
SCHEMBL1201791 0.83 APP (0.42) BRD4PTGDR2APP

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-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2009036428-A2 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-03-19 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-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 BRD4 19/4885PTGDR2 1817/4885APP 4/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 BRD4 19/4885PTGDR2 1817/4885APP 4/4885

“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.