SCHEMBL4013426

SCHEMBL4013426

CCCc1nc(C(C)F)c(-c2ccc(OC(C)(C)C)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.59
KCNH2 Q12809 2/20 0.56
AGTR1 P30556 2/20 0.55

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
SCHEMBL1888226 0.99 PPARG (0.58) PPARGKCNH2AGTR1
SCHEMBL1888833 0.95 PPARG (0.57) PPARGKCNH2AGTR1
SCHEMBL1896445 0.95 PPARG (0.57) PPARGKCNH2AGTR1
SCHEMBL1886763 0.91 PPARG (0.59) PPARGKCNH2AGTR1
SCHEMBL1893388 0.90 PPARG (0.58) PPARGKCNH2AGTR1
SCHEMBL1894312 0.89 AGTR1 (0.64) PPARGAGTR1
SCHEMBL1891188 0.89 AGTR1 (0.57) PPARGKCNH2AGTR1
SCHEMBL1892308 0.89 AGTR1 (0.63) PPARGAGTR1
SCHEMBL4307937 0.88 PPARG (0.51) PPARGKCNH2AGTR1
SCHEMBL4018197 0.88 AGTR1 (0.55) PPARGKCNH2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998968-B2 Substituted pyrimidines and [1,2, 4] triazoles and the use thereof for treating prophylaxis, cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-16 US disclosed
US-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-05-12 US disclosed
EP-2256115-A1 Heteromonocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP disclosed
US-7803940-B2 Heteromonocyclic compound or a salt thereof having strong antihypertensive action, insulin sensitizing activity and the like production thereof and use thereof for prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7803940-B2 Heteromonocyclic compound or a salt thereof having strong antihypertensive action, insulin sensitizing activity and the like production thereof and use thereof for prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-06 US disclosed
US-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-06 US disclosed
US-20100105709-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-29 US disclosed
US-20100056526-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-03-04 US disclosed
US-20100056526-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-03-04 US disclosed
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-07-09 US disclosed
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-07-09 US disclosed
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 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-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 PPARG 3043/4885KCNH2 383/4885AGTR1 16/4885
US-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 PPARG 3043/4885KCNH2 383/4885AGTR1 16/4885
US-20100056526-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF CYP11B2, CYP11B1, NR3C2 PPARG 1212/4885KCNH2 1316/4885AGTR1 9/4885
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C3AR1, C1S PPARG 3372/4885KCNH2 537/4885AGTR1 22/4885
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 PPARG 3043/4885KCNH2 383/4885AGTR1 16/4885
US-20100105709-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 PPARG 3043/4885KCNH2 383/4885AGTR1 16/4885

“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.