SCHEMBL13039963

SCHEMBL13039963

COc1ccc(C(=O)NCC(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
TP53 P04637 1/20 0.62
PTPRC P08575 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL8947287 0.88 KMT2A (0.76) KMT2AMEN1TP53SMN1; SMN2ALDH1A1
SCHEMBL17038657 0.83 RAB9A (0.59) KMT2AMEN1TP53SMN1; SMN2NR1H4
SCHEMBL15595269 0.83 KMT2A (0.78) KMT2AMEN1TP53SMN1; SMN2ALDH1A1
SCHEMBL29802080 0.83 KMT2A (0.78) KMT2AMEN1TP53SMN1; SMN2ALDH1A1
SCHEMBL8178988 0.82 PDE4A (0.71) KMT2AMEN1TP53SMN1; SMN2ALDH1A1
SCHEMBL15595277 0.82 KMT2A (0.68) KMT2AMEN1TP53SMN1; SMN2ALDH1A1
SCHEMBL7520828 0.79 PTPRC (0.60) KMT2AMEN1TP53PTPRCSMN1; SMN2
SCHEMBL20116545 0.79 PTPRC (0.60) KMT2AMEN1TP53PTPRCSMN1; SMN2
SCHEMBL15855062 0.79 PTPRC (0.48) KMT2AMEN1TP53PTPRCALDH1A1
SCHEMBL17204573 0.79 TP53 (0.71) KMT2AMEN1TP53SMN1; SMN2ALDH1A1

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
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 KMT2A 4032/4885MEN1 4012/4885TP53 2357/4885

“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.