SCHEMBL668380

SCHEMBL668380

COC(=O)c1ccc(C(C)(C)C)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.70
L3MBTL1 Q9Y468 3/20 0.70
NPSR1 Q6W5P4 2/20 0.70
TSHR P16473 2/20 0.70
MAPK1 P28482 2/20 0.70
ATM Q13315 1/20 0.70
LMNA P02545 2/20 0.53
PPARG P37231 1/20 0.53
NCOA2 Q15596 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
YEATS4 O95619 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
DAO P14920 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42
RAF1 P04049 6/20 0.41
MAPK14 Q16539 6/20 0.41

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
SCHEMBL7649767 0.86 TSHR (0.53) HPGDL3MBTL1NPSR1TSHRMAPK1
SCHEMBL29065065 0.85 HPGD (0.66) HPGDL3MBTL1NPSR1TSHRMAPK1
SCHEMBL27402774 0.83 L3MBTL1 (0.68) HPGDL3MBTL1NPSR1TSHRMAPK1
SCHEMBL2652905 0.82 HPGD (0.67) HPGDL3MBTL1NPSR1TSHRMAPK1
SCHEMBL335624 0.82 DAO (0.64) HPGDL3MBTL1NPSR1TSHRMAPK1
SCHEMBL4703217 0.81 HPGD (0.65) HPGDL3MBTL1NPSR1TSHRMAPK1
SCHEMBL70027 0.81 NPSR1 (0.67) HPGDL3MBTL1NPSR1TSHRMAPK1
SCHEMBL12514085 0.80 HDAC3 (0.59) HPGDL3MBTL1NPSR1TSHRMAPK1
SCHEMBL20912453 0.80 TSHR (0.51) HPGDL3MBTL1NPSR1TSHRMAPK1
SCHEMBL7682658 0.79 L3MBTL1 (0.71) HPGDL3MBTL1NPSR1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920040-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-03-20 US disclosed
US-9908873-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-03-06 US disclosed
US-9856245-B2 GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-01-02 US disclosed
US-20170044146-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 US disclosed
US-20170044148-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 US disclosed
US-20170044147-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 US disclosed
WO-2017027310-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 WO disclosed
US-8889732-B2 Fused heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-11-18 US disclosed
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
US-20120209005-A1 FUSED HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-08-16 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP disclosed
EP-1047418-B1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2005-07-27 EP disclosed
CN-1544420-A Inhibition of raf kinase using substituted heterocyclic ureas 2004-11-10 CN disclosed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 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 (6 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-20170044148-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 HPGD 3511/4885L3MBTL1 3789/4885NPSR1 404/4885
US-20120209005-A1 FUSED HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS MPL, TEK, THPO HPGD 1327/4885L3MBTL1 477/4885NPSR1 187/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF HPGD 2117/4885L3MBTL1 1879/4885NPSR1 4583/4885
US-20170044146-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 HPGD 2034/4885L3MBTL1 4035/4885NPSR1 218/4885
US-20170044147-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR55, GPR65 HPGD 3300/4885L3MBTL1 2853/4885NPSR1 260/4885
US-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 HPGD 519/4885L3MBTL1 3206/4885NPSR1 3691/4885

“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.