SCHEMBL10048529

SCHEMBL10048529

CCCC(=O)NCCOCCOCCNC(=O)CCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.55
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CTSD P07339 1/20 0.43
NAAA Q02083 1/20 0.42
CNR1 P21554 1/20 0.41
FAAH O00519 2/20 0.41

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
SCHEMBL27142729 0.96 CASP2 (0.52) CASP2MEN1KMT2AHDAC3HDAC1
SCHEMBL11915802 0.96 CASP2 (0.52) CASP2MEN1KMT2AHDAC3HDAC1
SCHEMBL13644566 0.96 CASP2 (0.52) CASP2MEN1KMT2AHDAC3HDAC1
SCHEMBL25887649 0.96 CASP2 (0.52) CASP2MEN1KMT2AHDAC3HDAC1
SCHEMBL25885419 0.94 CASP2 (0.50) CASP2MEN1KMT2ATSHRHPGD
SCHEMBL25908214 0.94 CASP2 (0.50) CASP2MEN1KMT2AHDAC3HDAC1
SCHEMBL12019333 0.94 CASP2 (0.53) CASP2MEN1KMT2AHDAC3HDAC1
SCHEMBL16365459 0.92 TSHR (0.52) CASP2MEN1KMT2ATSHRHPGD
SCHEMBL29686983 0.92 TSHR (0.52) CASP2MEN1KMT2ATSHRHPGD
SCHEMBL16329232 0.92 CASP2 (0.48) CASP2MEN1KMT2AHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9476087-B2 Methods and compounds for detecting beta-lactamase activity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-10-25 US disclosed
US-20140322739-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY UNIV NANYANG TECH (SG) 2014-10-30 US disclosed
US-20120100555-A1 Synthesis And Use Of Fluorophore-Tagged Antimalarials NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-04-26 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 (2 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-20140322739-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY LPO, MPO, GUSB CASP2 1944/4885MEN1 3495/4885KMT2A 2396/4885
US-20120100555-A1 Synthesis And Use Of Fluorophore-Tagged Antimalarials ABCC1, DHFR, GFPT1 CASP2 969/4885MEN1 1858/4885KMT2A 686/4885

“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.