SCHEMBL957712

SCHEMBL957712

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A4 P31645 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FAAH O00519 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
SCHEMBL3641776 0.90 FAAH (0.33) GAAALDH1A1RAB9ASMN1; SMN2FAAH
SCHEMBL957710 0.80 HDAC6 (0.33) RAB9ASMN1; SMN2
SCHEMBL957713 0.80 HDAC6 (0.33) RAB9ASMN1; SMN2
SCHEMBL3647417 0.74 KCNN4 (0.38) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL957774 0.74 GAA (0.31) GAAALDH1A1
SCHEMBL957772 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15368372 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15355336 0.72 PMP22 (0.32) GAAALDH1A1SMN1; SMN2
SCHEMBL15355334 0.72 PMP22 (0.32) GAAALDH1A1SMN1; SMN2
SCHEMBL15355335 0.72 PMP22 (0.32) GAAALDH1A1SMN1; SMN2

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 GAA 1359/4885ALDH1A1 98/4885SLC6A4 3160/4885

“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.