SCHEMBL16250397

SCHEMBL16250397

O=C(O)CCC(=O)O[C@@H]1C[C@@H](CO)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
FABP5 Q01469 3/20 0.37
FABP7 O15540 2/20 0.37
CASP3 P42574 2/20 0.35
EPHX2 P34913 1/20 0.34
IDO1 P14902 1/20 0.34
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
PARP1 P09874 3/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MDM4 O15151 1/20 0.32
TP53 P04637 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL25457028 0.87 KMT2A (0.45) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL16248739 0.86 KMT2A (0.43) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL6800164 0.79 KMT2A (0.41) KMT2AFABP5FABP7EPHX2DPP8
SCHEMBL6856244 0.79 KMT2A (0.41) KMT2AFABP5FABP7EPHX2DPP8
SCHEMBL25457029 0.78 KMT2A (0.38) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL16248743 0.78 KMT2A (0.36) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL5497609 0.74 KMT2A (0.59) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL31378081 0.74 KMT2A (0.59) KMT2AFABP5FABP7CASP3EPHX2
SCHEMBL6855043 0.74 KMT2A (0.37) KMT2AFABP5FABP7EPHX2PARP1
SCHEMBL14891093 0.71 L3MBTL1 (0.45) KMT2AFABP5FABP7EPHX2CHRM2

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-9714421-B2 Compositions and methods IONIS PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-9181549-B2 Conjugated antisense compounds and their use ISIS PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-9127276-B2 Conjugated antisense compounds and their use ISIS PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-20150176007-A1 COMPOSITIONS AND METHODS FOR MODULATING HBV EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
US-20150126718-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE ISIS PHARMACEUTICALS, INC. (US) 2015-05-07 US disclosed
US-20140343123-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE ISIS PHARMACEUTICALS, INC. (US) 2014-11-20 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 (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-20150176007-A1 COMPOSITIONS AND METHODS FOR MODULATING HBV EXPRESSION HAVCR2, HCCS, HDGF KMT2A 2874/4885FABP5 677/4885FABP7 878/4885

“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.