SCHEMBL17549585

SCHEMBL17549585

CC(C)C1(O)CC[C@H](C(N)=O)[C@H](C)C1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.44
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A12 P48065 1/20 0.30
SLC6A11 P48066 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
SCHEMBL19286582 1.00 EPHX1 (0.44) EPHX1POLBTSHRSLC6A12SLC6A11
SCHEMBL17322956 0.84 POLB (0.33) POLBTSHR
SCHEMBL17549584 0.84 TSHR (0.42) POLBTSHRSLC6A12SLC6A11
SCHEMBL19285930 0.84 TSHR (0.42) POLBTSHRSLC6A12SLC6A11
SCHEMBL31250284 0.77 EPHX1 (0.48) EPHX1SLC6A12SLC6A11
SCHEMBL17551899 0.77 EPHX1 (0.48) EPHX1SLC6A12SLC6A11
SCHEMBL16840146 0.72 CA1 (0.34)
SCHEMBL16840147 0.72 CA1 (0.34)
SCHEMBL16840139 0.72 SMN1; SMN2 (0.38) EPHX1
SCHEMBL16840141 0.72 SMN1; SMN2 (0.38) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745295-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK CANADA INC. (CA) 2016-03-03 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 (1 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-20160060255-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, TYRO3, BTK EPHX1 1529/4885POLB 4838/4885TSHR 944/4885

“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.