SCHEMBL15675153

SCHEMBL15675153

C[C@H](NC(=O)CC(O)(CC(C)(C)O)c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
PRCP P42785 1/20 0.44
GPR139 Q6DWJ6 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 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
SCHEMBL9955074 1.00 KMT2A (0.50) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL10066477 0.78 SMN1; SMN2 (0.40) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL15674698 0.78 SMN1; SMN2 (0.40) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL9955077 0.76 POLB (0.46) KMT2AMEN1MAPTPOLB
SCHEMBL3709639 0.75 SMN1; SMN2 (0.38) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL15674404 0.72 ALOX5 (0.36) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL9955946 0.72 ALOX5 (0.36) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1463687 0.72 SMN1; SMN2 (0.65) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL1463685 0.72 SMN1; SMN2 (0.65) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL13021174 0.72 MEN1 (0.68) KMT2AMEN1ALDH1A1GPR139L3MBTL1

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-8916701-B2 Methods of making diastereomeric organic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2655349-B1 METHODS OF MAKING DIASTEREOMERIC ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
US-20140135493-A1 METHODS OF MAKING DIASTEREOMERIC ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-15 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-20140135493-A1 METHODS OF MAKING DIASTEREOMERIC ORGANIC COMPOUNDS HSD11B1, HSD11B2, HSD17B1 KMT2A 2536/4885MEN1 384/4885SMN1; SMN2 3686/4885

“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.