SCHEMBL957710

SCHEMBL957710

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.33
CACNA1G O43497 1/20 0.33
PTGFR P43088 5/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SCN9A Q15858 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
KCNN4 O15554 2/20 0.31
ADRB2 P07550 1/20 0.30
HTR1A P08908 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
SCHEMBL957713 1.00 HDAC6 (0.33) HDAC6CACNA1GPTGFRRAB9AKMT2A
SCHEMBL3641776 0.83 FAAH (0.33) CACNA1GPTGFRRAB9ASMN1; SMN2
SCHEMBL957712 0.80 GAA (0.32) RAB9ASMN1; SMN2
SCHEMBL3647417 0.77 KCNN4 (0.38) HDAC6RAB9AKMT2ASMN1; SMN2KCNN4
SCHEMBL957773 0.77 KCNN4 (0.33) HDAC6KMT2ASMN1; SMN2KCNN4
SCHEMBL957772 0.72 ALDH1A1 (0.33) CACNA1G
SCHEMBL15368372 0.72 ALDH1A1 (0.33) CACNA1G
SCHEMBL15355335 0.70 PMP22 (0.32) KMT2ASMN1; SMN2KCNN4
SCHEMBL15355336 0.70 PMP22 (0.32) KMT2ASMN1; SMN2KCNN4
SCHEMBL15355334 0.70 PMP22 (0.32) KMT2ASMN1; SMN2KCNN4

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 HDAC6 1011/4885CACNA1G 3585/4885PTGFR 2323/4885

“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.