SCHEMBL1668508

SCHEMBL1668508

N#Cc1ccc(CNC(=O)N2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.52
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 1/20 0.48
FAAH O00519 1/20 0.46
TPSAB1 Q15661 2/20 0.46
PRSS1 P07477 2/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
F2 P00734 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44
PLAU P00749 1/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL12801427 0.86 PPID (0.53) PREPKDM4ETPSAB1PRSS1TPSD1
SCHEMBL1668562 0.86 TPSAB1 (0.58) PREPKDM4ETPSAB1PRSS1TPSD1
SCHEMBL11903553 0.84 RAB9A (0.51) KDM4ERAB9AFAAHTPSAB1PRSS1
SCHEMBL1668952 0.83 SIGMAR1 (0.58) PREPKDM4ETPSAB1PRSS1TPSD1
SCHEMBL27109856 0.82 PLAU (0.60) CTSLCTSBCTSSCTSKPLAU
SCHEMBL11263011 0.82 PREP (0.59) PREPCTSLCTSBCTSSCTSK
SCHEMBL7159251 0.82 PREP (0.59) PREPCTSLCTSBCTSSCTSK
SCHEMBL1670890 0.82 KDM4E (0.50) PREPKDM4ETPSAB1PRSS1TPSD1
SCHEMBL7683566 0.79 GAA (0.54) PREPTPSAB1TPSD1TPSG1CTSL
SCHEMBL27795955 0.79 PREP (0.56) PREPCTSLCTSBCTSSCTSK

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-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

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 PREP 484/4885KDM4E 4500/4885RAB9A 4270/4885

“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.