SCHEMBL11980665

SCHEMBL11980665

Cc1cc2c(O)c(C(=O)O)cnc2cc1-c1c(C)noc1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.46
BRD2 P25440 8/20 0.46
BRD3 Q15059 7/20 0.46
CYP3A4 P08684 11/20 0.45
CYP2C9 P11712 11/20 0.45
FTO Q9C0B1 1/20 0.41
CYP2C19 P33261 1/20 0.40
PDE4B Q07343 1/20 0.40
ERN1 O75460 1/20 0.39
CREBBP Q92793 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
SCHEMBL18250005 0.90 BRD4 (0.44) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18249906 0.89 BRD4 (0.43) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL1905779 0.88 BRD4 (0.58) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL11980662 0.85 BRD4 (0.46) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL1904100 0.82 BRD4 (0.63) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL11980664 0.80 ERN1 (0.47) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL11980659 0.79 CYP3A4 (0.52) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL15980854 0.77 CYP3A4 (0.59) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18249954 0.77 BRD4 (0.44) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18249930 0.76 FTO (0.46) BRD4BRD2BRD3CYP3A4CYP2C9

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-20150133436-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases GLAXOSMITHKLINE LLC 2015-05-14 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20120208800-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases GLAXOSMITHKLINE LLC 2012-08-16 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 (5 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-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME BRDT, BRD2, BRD4 BRD4 3/4885BRD2 2/4885BRD3 4/4885
US-20120208800-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases BRD4, BRD3, BRPF3 BRD4 1/4885BRD2 4/4885BRD3 2/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 BRD4 2/4885BRD2 5/4885BRD3 6/4885
US-20150133436-A1 Bromodomain Inhibitors For Treating Autoimmune And Inflammatory Diseases BRD4, BRD3, BRPF3 BRD4 1/4885BRD2 4/4885BRD3 2/4885
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME BRDT, BRD4, BRD1 BRD4 2/4885BRD2 5/4885BRD3 7/4885

“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.