SCHEMBL957772

SCHEMBL957772

C=CC[C@](O)(CCN(C(=O)OC)C(C)c1ccc(Br)cc1)c1ccccc1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CACNA1G O43497 1/20 0.32
ALOX5 P09917 1/20 0.31
PYCR1 P32322 1/20 0.30

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
SCHEMBL15368372 1.00 ALDH1A1 (0.33) ALDH1A1L3MBTL1CACNA1GALOX5PYCR1
SCHEMBL13953567 0.91
SCHEMBL15355335 0.90 PMP22 (0.32) ALDH1A1L3MBTL1ALOX5
SCHEMBL15355334 0.90 PMP22 (0.32) ALDH1A1L3MBTL1ALOX5
SCHEMBL15355336 0.90 PMP22 (0.32) ALDH1A1L3MBTL1ALOX5
SCHEMBL957774 0.80 GAA (0.31) ALDH1A1L3MBTL1
SCHEMBL3641776 0.77 FAAH (0.33) ALDH1A1CACNA1G
SCHEMBL13010741 0.77 CACNA1G (0.35) CACNA1GALOX5
SCHEMBL116410 0.77 SMN1; SMN2 (0.34) ALDH1A1L3MBTL1ALOX5
SCHEMBL735527 0.77 SMN1; SMN2 (0.34) ALDH1A1L3MBTL1ALOX5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 ALDH1A1 98/4885L3MBTL1 4021/4885CACNA1G 3585/4885

“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.