SCHEMBL15675005

SCHEMBL15675005

C[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N(CC[C@](O)(CC(C)(C)O)c1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.45
CYP2C9 P11712 8/20 0.45
CYP2C19 P33261 7/20 0.44
CYP3A4 P08684 5/20 0.38

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
SCHEMBL10066209 0.90 HSD11B1 (0.42) HSD11B1CYP2C9CYP2C19CYP3A4
SCHEMBL13624909 0.81 HSD11B1 (0.44) HSD11B1CYP2C9CYP2C19CYP3A4
SCHEMBL17120312 0.81 HSD11B1 (0.44) HSD11B1CYP2C9CYP2C19CYP3A4
SCHEMBL9955344 0.81 HSD11B1 (0.42) HSD11B1CYP2C9CYP2C19CYP3A4
SCHEMBL9955946 0.79 ALOX5 (0.36) HSD11B1CYP2C9CYP3A4
SCHEMBL15674404 0.79 ALOX5 (0.36) HSD11B1CYP2C9CYP3A4
SCHEMBL16374786 0.78 KMT2A (0.35) HSD11B1CYP2C9CYP2C19
SCHEMBL15241456 0.76 HSD11B1 (0.47) HSD11B1CYP2C9CYP2C19CYP3A4
SCHEMBL15241496 0.76 HSD11B1 (0.45) HSD11B1CYP2C9CYP2C19CYP3A4
SCHEMBL15436370 0.75 HSD11B1 (0.46) HSD11B1CYP2C9CYP2C19CYP3A4

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 HSD11B1 1/4885CYP2C9 72/4885CYP2C19 67/4885

“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.