SCHEMBL755357

SCHEMBL755357

C/C(=C\O)Cn1ccc(Br)cc1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.33
PSMB5 P28074 4/20 0.33
CES1 P23141 1/20 0.33
PSMB1 P20618 2/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MCHR1 Q99705 1/20 0.31
KRAS P01116 2/20 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
SCHEMBL13552201 0.80 CES1 (0.47) CUL4APSMB5CES1PSMB1GAA
SCHEMBL17512273 0.76 HDAC6 (0.45) PSMB5ALDH1A1
SCHEMBL24803269 0.74 GRIN2B (0.42) KRAS
SCHEMBL16144682 0.74 CASP3 (0.42) PSMB5GAAALDH1A1
SCHEMBL2536105 0.73 PIK3CD (0.40) GAAALDH1A1
SCHEMBL13837758 0.72 GSK3A (0.45) ALDH1A1
SCHEMBL21218000 0.71 SMN1; SMN2 (0.51) PSMB5PSMB1GAAALDH1A1
SCHEMBL18186968 0.70 ACACB (0.39) GAA
SCHEMBL27151182 0.70 ALDH1A1 (0.56) ALDH1A1
SCHEMBL20705071 0.70 HSP90AA1 (0.31) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184549-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-07-19 US disclosed
US-20120108579-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8138178-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-8114868-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-02-14 US disclosed
US-20110021512-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-01-27 US disclosed
US-20110009402-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2011-01-13 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 (4 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-20110021512-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD11B2, HSD3B1 CUL4A 4313/4885PSMB5 378/4885CES1 50/4885
US-20120108579-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CUL4A 4301/4885PSMB5 514/4885CES1 41/4885
US-20120184549-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CUL4A 4489/4885PSMB5 474/4885CES1 64/4885
US-20110009402-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD11B2, HSD3B1 CUL4A 4476/4885PSMB5 473/4885CES1 65/4885

“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.