SCHEMBL17911554

SCHEMBL17911554

CC(CC(=O)OC(C)(C)C)OS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA12 O43570 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 2/20 0.32
CA7 P43166 2/20 0.32
MLYCD O95822 7/20 0.30

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
SCHEMBL29073464 0.82 ALDH1A1 (0.34) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL15672757 0.79 ALDH1A1 (0.41) ALDH1A1CA12CA14CA7
SCHEMBL5783959 0.79 ALDH1A1 (0.41) ALDH1A1CA12CA14CA7
SCHEMBL27929482 0.77 TSHR (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7428898 0.77 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27424859 0.76 CYP2D6 (0.46) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL21609770 0.76 CYP2D6 (0.46) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4822087 0.76 GAA (0.41) CYP2D6ALDH1A1
SCHEMBL14491873 0.76 GAA (0.41) CYP2D6ALDH1A1
SCHEMBL28737205 0.74 ALDH1A1 (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138842-B1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS ZHEJIANG DTRM BIOPHARMA CO LTD (CN) 2020-12-09 EP disclosed
US-10300066-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors Zhejiang DTRM Biopharma Co. Ltd. (CN) 2019-05-28 US disclosed
US-20180207161-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2018-07-26 US disclosed
US-9861636-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors Zhejiang DTRM Biopharma Co. Ltd. (CN) 2018-01-09 US disclosed
US-20170065594-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2017-03-09 US disclosed
EP-3138842-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co., Ltd. (CN) 2017-03-08 EP disclosed
US-9532990-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors Zhejiang DTRM Biopharma Co. Ltd. (CN) 2017-01-03 US disclosed
US-20160200730-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2016-07-14 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-20160200730-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN CYP2D6 530/4885HDAC3 1448/4885HDAC1 1535/4885
US-20170065594-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN CYP2D6 530/4885HDAC3 1448/4885HDAC1 1535/4885
US-20180207161-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN CYP2D6 530/4885HDAC3 1448/4885HDAC1 1535/4885
US-10300066-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors BTK, LCK, LYN CYP2D6 530/4885HDAC3 1448/4885HDAC1 1535/4885

“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.