SCHEMBL1974652

SCHEMBL1974652

CCOC(=O)C1(NC(=O)OCc2ccccc2)CC=CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.51
CTSS P25774 3/20 0.51
CTSL P07711 2/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MAPT P10636 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSK P43235 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL1975740 0.93 CTSS (0.48) CTSBCTSSCTSLNPC1RAB9A
SCHEMBL2913795 0.90 CTSS (0.55) CTSBCTSSCTSLNPC1RAB9A
SCHEMBL10332172 0.88 CTSS (0.59) CTSBCTSSCTSLNPC1RAB9A
SCHEMBL3147192 0.86 CTSS (0.48) CTSBCTSSCTSLNPC1RAB9A
SCHEMBL22041768 0.85 CTSS (0.50) CTSBCTSSCTSLNPC1RAB9A
SCHEMBL22041903 0.84 CTSS (0.47) CTSBCTSSCTSLNPC1RAB9A
SCHEMBL1975915 0.84 CTSS (0.47) CTSBCTSSCTSLNPC1RAB9A
SCHEMBL17007927 0.84 CTSB (0.47) CTSBCTSSCTSLNPC1RAB9A
SCHEMBL28719272 0.84 CTSS (0.47) CTSBCTSSCTSLNPC1RAB9A
SCHEMBL29761503 0.81 CTSL (0.47) CTSBCTSSCTSLNPC1RAB9A

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-8835457-B2 Bridged bicyclic RHO kinase inhibitor compounds, compositions and use MERCK SHARP & DOHME CORP. (US) 2014-09-16 US disclosed
US-20130281485-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND USE MERCK SHARP & DOHME LLC 2013-10-24 US disclosed
US-8476295-B2 Bridged bicyclic RHO kinase inhibitor compounds, composition and use Inspire (US) 2013-07-02 US disclosed
EP-2512239-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE Inspire Pharmaceuticals, Inc. (US) 2012-10-24 EP disclosed
WO-2011075415-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2011-06-23 WO disclosed
US-20110144150-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2011-06-16 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 (2 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-20130281485-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND USE ROCK1, RHOA, ROCK2 CTSB 3362/4885CTSS 3491/4885CTSL 3773/4885
US-20110144150-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 CTSB 3403/4885CTSS 3558/4885CTSL 3802/4885

“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.