SCHEMBL14617832

SCHEMBL14617832

COCCN(C/C=C/C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
MLYCD O95822 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
NCOR2 Q9Y618 1/20 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
SCHEMBL14617835 0.87 CA14 (0.36) CA14HDAC6
SCHEMBL23764641 0.87 CA14 (0.36) CA14HDAC6SLC6A2SLC6A4
SCHEMBL30154236 0.82 CA14 (0.40) CA14HDAC6HDAC3HDAC1HDAC2
SCHEMBL30154150 0.78 HDAC6 (0.33) CA14HDAC6
SCHEMBL18260871 0.78 PDE1A (0.38)
SCHEMBL18260869 0.78 PDE1A (0.38)
SCHEMBL18261099 0.78 PDE1A (0.38)
SCHEMBL19339624 0.76 CA14 (0.38) CA14HDAC6MLYCDHDAC3HDAC1
SCHEMBL20365669 0.76 MLYCD (0.44) CA14HDAC6SLC6A2SLC6A4MLYCD
SCHEMBL18285886 0.75 CA14 (0.43) CA14HDAC6MLYCDHDAC3HDAC1

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
US-9862722-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2018-01-09 US disclosed
US-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2015-11-19 US disclosed
US-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2015-11-19 US disclosed
US-9138436-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-09-22 US disclosed
US-9138436-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-09-22 US disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 US disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 US disclosed
WO-2013010136-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 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 (2 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-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 CA14 4751/4885HDAC6 2656/4885SLC6A2 4233/4885
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 CA14 4751/4885HDAC6 2656/4885SLC6A2 4233/4885

“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.