SCHEMBL16295279

SCHEMBL16295279

CC(C)(C)OC(=O)C(Cc1ccc(-c2ncc(C(=O)O)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.49
▸ MAPT P10636 7/20 0.48
▸ TDP1 Q9NUW8 5/20 0.48
▸ POLB P06746 3/20 0.48
▸ XDH P47989 1/20 0.46
▸ NPSR1 Q6W5P4 4/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HCRTR1 O43613 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL16295278 1.00 ROCK2 (0.49) ROCK2MAPTTDP1POLBXDH
SCHEMBL16342898 0.90 MAPT (0.46) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL15037039 0.90 MAPT (0.46) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL22384184 0.89 ROCK2 (0.45) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL15037142 0.89 ROCK2 (0.45) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL22384169 0.89 MAPT (0.45) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL28294750 0.89 MAPT (0.50) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL28294749 0.89 MAPT (0.50) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL19807129 0.88 XDH (0.48) ROCK2MAPTTDP1POLBXDH
SCHEMBL22448976 0.88 ROCK2 (0.44) ROCK2MAPTTDP1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 — — EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
US-10259823-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2019-04-16 — — US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 — — US disclosed
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-11-02 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-9598430-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-03-21 — — US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 — — US disclosed
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-07-28 — — US disclosed
EP-3008056-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2016-04-20 — — EP disclosed
US-9260427-B2 GLP-1 receptor modulators RECEPTOS, INC. (US) 2016-02-16 — — US disclosed
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2015-01-08 — — US disclosed
WO-2014201172-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2014-12-18 — — 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 (7 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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ROCK2 1468/4885MAPT 4366/4885TDP1 3121/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ROCK2 1468/4885MAPT 4366/4885TDP1 3121/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ROCK2 1468/4885MAPT 4366/4885TDP1 3121/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ROCK2 1468/4885MAPT 4366/4885TDP1 3121/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ROCK2 1466/4885MAPT 4208/4885TDP1 3259/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ROCK2 1466/4885MAPT 4208/4885TDP1 3259/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ROCK2 1468/4885MAPT 4366/4885TDP1 3121/4885

“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.

Send feedback