SCHEMBL837246

SCHEMBL837246

COc1cc(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccc1SC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 3/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
ALDH1A1 P00352 3/20 0.36
SUV39H2 Q9H5I1 1/20 0.36
EPHX2 P34913 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35

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
SCHEMBL837245 1.00 TRPA1 (0.41) TRPA1PPARGPPARAKMT2AKDM4E
SCHEMBL835646 0.84 TAS1R3 (0.43) KMT2AGAATAS1R3TAS1R1ALDH1A1
SCHEMBL30845326 0.81 KMT2A (0.43) KMT2AKDM4EGAAHPGDALDH1A1
SCHEMBL24758815 0.81 KMT2A (0.43) KMT2AKDM4EGAAHPGDALDH1A1
SCHEMBL443417 0.78 KMT2A (0.42) TRPA1PPARGPPARAKMT2AKDM4E
SCHEMBL413082 0.78 KMT2A (0.42) TRPA1PPARGPPARAKMT2AKDM4E
SCHEMBL851093 0.78 ACHE (0.37) TRPA1PPARGPPARAKMT2AKDM4E
SCHEMBL837027 0.77 PPARG (0.51) PPARGPPARAKDM4EGAAHPGD
SCHEMBL837026 0.77 PPARG (0.51) PPARGPPARAKDM4EGAAHPGD
SCHEMBL15632156 0.77 PPARG (0.51) PPARGPPARAKDM4EGAAHPGD

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-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
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-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-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-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-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
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 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 (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 TRPA1 880/4885PPARG 288/4885PPARA 885/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 TRPA1 880/4885PPARG 288/4885PPARA 885/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 TRPA1 880/4885PPARG 288/4885PPARA 885/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 TRPA1 880/4885PPARG 288/4885PPARA 885/4885

“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.