SCHEMBL4760623

SCHEMBL4760623

CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CO)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 9/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CTSK P43235 2/20 0.57
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ EPHX1 P07099 1/20 0.45
▸ RORC P51449 2/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ BTK Q06187 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL14277690 1.00 HSD11B1 (0.57) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL4953395 0.91 CTSK (0.52) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL13495889 0.89 HSD11B1 (0.55) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL10288446 0.89 HSD11B1 (0.57) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL5743984 0.89 HSD11B1 (0.57) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL16621799 0.89 HSD11B1 (0.57) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL11890338 0.87 HSD11B1 (0.56) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL26814988 0.87 HSD11B1 (0.56) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL11890331 0.87 HSD11B1 (0.56) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL11890337 0.87 HSD11B1 (0.56) HSD11B1CYP2C9CTSKCA1CA2

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-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 — — US disclosed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 — — US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 — — US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 — — US disclosed
US-8039470-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2011-10-18 — — US disclosed
US-8039470-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2011-10-18 — — US disclosed
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2011-09-15 — — US disclosed
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2011-09-15 — — US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 — — US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 — — US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 — — US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 — — US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 — — US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 — — 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-20090076005-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 HSD11B1 2215/4885CYP2C9 4586/4885CTSK 571/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 HSD11B1 2215/4885CYP2C9 4586/4885CTSK 571/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 HSD11B1 2215/4885CYP2C9 4586/4885CTSK 571/4885
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 HSD11B1 2215/4885CYP2C9 4586/4885CTSK 571/4885

“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.

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