SCHEMBL850983

SCHEMBL850983

C[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPT P10636 1/20 0.40
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
CNR2 P34972 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CYP3A4 P08684 1/20 0.37
PDE2A O00408 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3641957 1.00 PPARG (0.46) PPARGPPARACES2CES1MAPT
SCHEMBL24298281 1.00 PPARG (0.46) PPARGPPARACES2CES1MAPT
SCHEMBL24298278 1.00 PPARG (0.46) PPARGPPARACES2CES1MAPT
SCHEMBL24298276 1.00 PPARG (0.46) PPARGPPARACES2CES1MAPT
SCHEMBL24298675 0.89 NR1H4 (0.43) CTSSCTSKCA1CA2CA7
SCHEMBL24298151 0.89 NR1H4 (0.43) CTSSCTSKCA1CA2CA7
SCHEMBL24298671 0.89 NR1H4 (0.43) CTSSCTSKCA1CA2CA7
SCHEMBL24298866 0.89 NR1H4 (0.43) CTSSCTSKCA1CA2CA7
SCHEMBL24298676 0.89 NR1H4 (0.43) CTSSCTSKCA1CA2CA7
SCHEMBL24298863 0.89 NR1H4 (0.43) CTSSCTSKCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 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 (4 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 PPARG 288/4885PPARA 885/4885CES2 206/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 PPARG 288/4885PPARA 885/4885CES2 206/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 PPARG 288/4885PPARA 885/4885CES2 206/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 PPARG 288/4885PPARA 885/4885CES2 206/4885

“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.