Sugi Predict

Sugi Predict / Compounds / SCHEMBL735527

SCHEMBL735527

SCHEMBL735527

C=C(C)CC(O)(CCN(C(=O)OC)[C@@H](C)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ KCNN4 O15554 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32

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
SCHEMBL116410 1.00 SMN1; SMN2 (0.34) SMN1; SMN2ALOX5ALDH1A1L3MBTL1LMNA
SCHEMBL958964 0.91 KMT2A (0.36) SMN1; SMN2ALOX5ALDH1A1L3MBTL1LMNA
SCHEMBL1431286 0.89 ALOX5 (0.36) SMN1; SMN2ALOX5ALDH1A1L3MBTL1LMNA
SCHEMBL1431291 0.89 ALOX5 (0.36) SMN1; SMN2ALOX5ALDH1A1L3MBTL1LMNA
SCHEMBL1431288 0.89 ALOX5 (0.36) SMN1; SMN2ALOX5ALDH1A1L3MBTL1LMNA
SCHEMBL956652 0.88 SMN1; SMN2 (0.34) SMN1; SMN2ALOX5ALDH1A1L3MBTL1LMNA
SCHEMBL3670614 0.81 CYP2C19 (0.37) SMN1; SMN2ALOX5ALDH1A1L3MBTL1KMT2A
SCHEMBL15949367 0.81 UTS2R (0.39) —
SCHEMBL958265 0.80 UTS2R (0.39) L3MBTL1KMT2AMEN1
SCHEMBL116412 0.79 OPRM1 (0.33) SMN1; SMN2L3MBTL1LMNACNR1KMT2A

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687525-B1 CYCLIC INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2015-09-23 — — EP disclosed
US-8680093-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 — — US disclosed
US-8680093-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 — — US disclosed
US-8673899-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-18 — — US disclosed
US-8673899-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-18 — — US disclosed
EP-2687525-A1 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 Boehringer Ingelheim International GmbH (DE) 2014-01-22 — — EP disclosed
US-8629138-B2 — — 2014-01-14 — — US disclosed
US-8629138-B2 — — 2014-01-14 — — US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 — — US disclosed
US-8575157-B2 — — 2013-11-05 — — US disclosed
US-20110021512-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-01-27 — — 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
US-20110009402-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2011-01-13 — — US disclosed
US-20100331320-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-30 — — US disclosed
US-20100331320-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-30 — — US disclosed
WO-2010127237-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 — — WO disclosed
WO-2010011314-A1 CYCLIC INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 — — WO disclosed
WO-2009134400-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 — — WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 — — WO 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 (3 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 SMN1; SMN2 2371/4885ALOX5 46/4885ALDH1A1 290/4885
US-20110009402-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD11B2, HSD3B1 SMN1; SMN2 2137/4885ALOX5 223/4885ALDH1A1 358/4885
US-20100331320-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 SMN1; SMN2 2120/4885ALOX5 223/4885ALDH1A1 350/4885

“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.