SCHEMBL957773

SCHEMBL957773

C=CCC(O)(CCN(C(=O)O)C(C)(C)c1ccc(Br)cc1)c1ccccc1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL15355334 0.79 PMP22 (0.32) KCNN4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15355335 0.79 PMP22 (0.32) KCNN4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15355336 0.79 PMP22 (0.32) KCNN4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL957774 0.78 GAA (0.31) ALDH1A1L3MBTL1
SCHEMBL957713 0.77 HDAC6 (0.33) KCNN4HDAC6KMT2ASMN1; SMN2
SCHEMBL957710 0.77 HDAC6 (0.33) KCNN4HDAC6KMT2ASMN1; SMN2
SCHEMBL116411 0.76 OPRM1 (0.34) HDAC6ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL957772 0.73 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL15368372 0.73 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL3647417 0.69 KCNN4 (0.38) KCNN4KCNE1KCNQ1HDAC6ALDH1A1

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 KCNN4 3172/4885KCNE1 3110/4885KCNQ1 3459/4885

“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.