SCHEMBL168283

SCHEMBL168283

Cc1cc(Br)ccc1[C@H](C)N[S@+]([O-])C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
AAK1 Q2M2I8 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
SCHEMBL22659622 1.00 CA1 (0.34) CA1CA2SIGMAR1AAK1
SCHEMBL29418450 1.00 CA1 (0.34) CA1CA2SIGMAR1AAK1
SCHEMBL25534448 1.00 CA1 (0.34) CA1CA2SIGMAR1AAK1
SCHEMBL4075573 1.00 CA1 (0.34) CA1CA2SIGMAR1AAK1
SCHEMBL13332051 1.00 CA1 (0.34) CA1CA2SIGMAR1AAK1
SCHEMBL4927566 0.84 TRPA1 (0.33)
SCHEMBL24838392 0.84 TRPA1 (0.31)
SCHEMBL22659641 0.84 MAPK1 (0.35) AAK1
SCHEMBL22659638 0.84 MAPK1 (0.35) AAK1
SCHEMBL25226577 0.84 APLNR (0.39) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8575157-B2 2013-11-05 US disclosed
US-8575157-B2 2013-11-05 US disclosed
US-20130096108-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2013-04-18 US disclosed
US-20130096108-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2013-04-18 US disclosed
US-20120184549-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-07-19 US disclosed
EP-2424865-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
US-8114868-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-02-14 US disclosed
US-8114868-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-02-14 US disclosed
US-8114868-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-02-14 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-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

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-20130096108-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD11B2, HSD17B1 CA1 560/4885CA2 1379/4885SIGMAR1 2065/4885
US-20120184549-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CA1 1065/4885CA2 614/4885SIGMAR1 2071/4885
US-20110009402-A1 Cyclic Inhibitors of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD11B2, HSD3B1 CA1 1069/4885CA2 608/4885SIGMAR1 2009/4885
US-20100331320-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CA1 1065/4885CA2 614/4885SIGMAR1 2071/4885

“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.