SCHEMBL308041

SCHEMBL308041

CC(C)(C)OC(=O)N[C@H]1CCc2nc(NC(=O)OCc3ccccc3)sc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
ROCK2 O75116 2/20 0.49
GSK3B P49841 2/20 0.48
CSNK2A1 P68400 2/20 0.48
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL308040 1.00 MAPT (0.53) MAPTROCK2GSK3BCSNK2A1HDAC3
SCHEMBL21552301 0.85 NPC1 (0.49) GSK3BCSNK2A1SMN1; SMN2NPC1RAB9A
SCHEMBL6031607 0.81 MAPT (0.52) MAPTROCK2SMN1; SMN2NPC1ALDH1A1
Trifluoroacetic Acid SCHEMBL308773 0.79 MAPT (0.49) MAPTROCK2SMN1; SMN2NPC1ALDH1A1
Trifluoroacetic Acid SCHEMBL308772 0.79 MAPT (0.49) MAPTROCK2SMN1; SMN2NPC1ALDH1A1
SCHEMBL6032798 0.77 MAPT (0.47) MAPTROCK2GSK3BCSNK2A1SMN1; SMN2
SCHEMBL21568227 0.76 GSK3B (0.64) MAPTGSK3BCSNK2A1NPC1RAB9A
SCHEMBL3944460 0.76 ALDH1A1 (0.69) CA1CA2ACHEALDH1A1KMT2A
SCHEMBL3944464 0.76 ALDH1A1 (0.69) CA1CA2ACHEALDH1A1KMT2A
SCHEMBL6153463 0.76 ALDH1A1 (0.69) CA1CA2ACHEALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 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 (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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 MAPT 395/4885ROCK2 4/4885GSK3B 1283/4885

“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.