SCHEMBL1668574

SCHEMBL1668574

C=CC(=O)Nc1cccc(C(=O)N2CCC(c3cccc(CNC(=O)OC(C)(C)C)c3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.43
CCNK O75909 3/20 0.42
CDK12 Q9NYV4 3/20 0.42
PARP14 Q460N5 2/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
MNAT1 P51948 1/20 0.42
NAMPT P43490 1/20 0.42
EPHX2 P34913 1/20 0.41
CDK14 O94921 2/20 0.40
CCNY Q8ND76 2/20 0.40
TGM2 P21980 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK3 P52333 2/20 0.39
EGFR P00533 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
SCHEMBL14879735 0.91 KMT2A (0.42) PARP14NAMPTEPHX2KMT2A
SCHEMBL14879657 0.88 EPHX2 (0.42) NAMPTEPHX2KMT2A
SCHEMBL1668585 0.85 KMT2A (0.44) EPHX2KMT2A
SCHEMBL14898131 0.85 KMT2A (0.44) EPHX2KMT2A
SCHEMBL15866724 0.85 ACHE (0.49)
SCHEMBL14898171 0.85 TGM2 (0.43) EPHX2TGM2KMT2A
SCHEMBL12801917 0.84 MGLL (0.50)
SCHEMBL14879910 0.84 L3MBTL3 (0.44) PARP14NAMPTEPHX2
SCHEMBL13967563 0.84 PARP14 (0.48) ACKR3CCNKCDK12PARP14CCNA2
SCHEMBL14898172 0.84 MGLL (0.45) PARP14NAMPT

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 ACKR3 2141/4885CCNK 3884/4885CDK12 2165/4885

“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.