SCHEMBL1668585

SCHEMBL1668585

CC(C)(C)OC(=O)NCc1cccc(C2CCN(C(=O)c3cccc(NC(=O)C(O)CO)c3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.40
DRD2 P14416 5/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 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
SCHEMBL14898131 0.91 KMT2A (0.44) KMT2ATSHREPHX2DRD2
SCHEMBL1670879 0.88 KMT2A (0.47) KMT2ATSHRDRD2
SCHEMBL14879657 0.86 EPHX2 (0.42) KMT2ATSHREPHX2
SCHEMBL1668574 0.85 ACKR3 (0.43) KMT2AEPHX2
SCHEMBL14879735 0.85 KMT2A (0.42) KMT2ATSHREPHX2
SCHEMBL13967564 0.85 KMT2A (0.52) KMT2ATSHRDRD2
SCHEMBL15866724 0.84 ACHE (0.49)
SCHEMBL14898171 0.83 TGM2 (0.43) KMT2AEPHX2PRMT5WDR77
SCHEMBL1668823 0.83 TPSAB1 (0.48) KMT2ATSHR
SCHEMBL12801917 0.83 MGLL (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 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 (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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, HCCS KMT2A 4829/4885TSHR 2519/4885EPHX2 3905/4885

“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.