SCHEMBL14645321

SCHEMBL14645321

C#CCOCCOCCOc1ccc(NC(=O)NNC(=O)OCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
MAPT P10636 4/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
POLB P06746 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL16607624 0.88 MAPT (0.48) MAPTPOLBNPC1RAB9AHPGD
SCHEMBL15849830 0.81 MAPT (0.50) EPHX2MAPTPOLBNPC1RAB9A
SCHEMBL14645191 0.81 KMT2A (0.44) EPHX2MAPTNPC1RAB9AKMT2A
SCHEMBL16365795 0.81 EPHX2 (0.44) EPHX2MAPTADRB2ADRB1ADRB3
SCHEMBL14645383 0.77 PTPN11 (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL18025700 0.73 GAA (0.50) MAPTPOLBNPC1RAB9AHPGD
SCHEMBL1601239 0.73 SMN1; SMN2 (0.55) MAPTPOLBNPC1RAB9AHPGD
SCHEMBL21399401 0.73 MAPT (0.52) EPHX2MAPTPOLBKMT2AMEN1
SCHEMBL26992265 0.71 EPHX2 (0.41) EPHX2MAPTPOLBRAB9AKMT2A
SCHEMBL10419324 0.71 GAA (0.68) EPHX2MAPTPOLBNPC1RAB9A

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-9149541-B2 Tyrosine ligation process NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9149541-B2 Tyrosine ligation process NOVARTIS AG (CH) 2015-10-06 US disclosed
US-20140141034-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2014-05-22 US disclosed
US-20140141034-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2014-05-22 US disclosed
EP-2729178-A1 TYROSINE LIGATION PROCESS Novartis AG (CH) 2014-05-14 EP disclosed
WO-2013009564-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2013-01-17 WO disclosed
WO-2013009564-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2013-01-17 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-20140141034-A1 TYROSINE LIGATION PROCESS ACP1, LTK, TTL EPHX2 3055/4885MAPT 2609/4885ADRB2 3538/4885

“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.