SCHEMBL1668952

SCHEMBL1668952

CC(C)(C)OC(=O)NCc1ccc(CNC(=O)N2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.58
NAMPT P43490 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.48
SYK P43405 1/20 0.47
TPSAB1 Q15661 2/20 0.45
PLAU P00749 1/20 0.45
NTSR1 P30989 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
PREP P48147 2/20 0.44
PRSS1 P07477 2/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL6027884 0.88 PRSS1 (0.57) SIGMAR1NAMPTMEN1KMT2AKDM4E
SCHEMBL12801427 0.85 PPID (0.53) MEN1KMT2AKDM4ETPSAB1PLAU
SCHEMBL1668562 0.85 TPSAB1 (0.58) KDM4ETPSAB1PLAUHRH3PREP
SCHEMBL1670890 0.85 KDM4E (0.50) SIGMAR1KDM4ETPSAB1PLAUHRH3
SCHEMBL3049200 0.84 SIGMAR1 (0.60) SIGMAR1MEN1KMT2APREP
SCHEMBL14691386 0.84 SIGMAR1 (0.66) SIGMAR1MEN1KMT2ASYKALDH1A1
SCHEMBL18751212 0.84 SIGMAR1 (0.60) SIGMAR1MEN1KMT2APREP
SCHEMBL14485285 0.84 SYK (0.62) NAMPTMEN1KMT2ASYKPLAU
SCHEMBL1668508 0.83 PREP (0.52) MEN1KMT2AKDM4ETPSAB1PLAU
SCHEMBL6027850 0.82 PRSS1 (0.50) SIGMAR1NAMPTMEN1KMT2AKDM4E

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 SIGMAR1 566/4885NAMPT 1847/4885MEN1 1112/4885

“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.