SCHEMBL16356129

SCHEMBL16356129

CC(C)(C)[S@@+]([O-])N[C@H](c1ccccc1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.35
IDO1 P14902 2/20 0.35
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RIPK1 Q13546 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
OPRM1 P35372 4/20 0.32
TACR3 P29371 3/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32

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
SCHEMBL16341604 1.00 KCNA5 (0.35) KCNA5IDO1GAAL3MBTL1RIPK1
SCHEMBL16341605 1.00 KCNA5 (0.35) KCNA5IDO1GAAL3MBTL1RIPK1
SCHEMBL16341606 1.00 KCNA5 (0.35) KCNA5IDO1GAAL3MBTL1RIPK1
SCHEMBL16322079 0.94 GAA (0.38) IDO1GAAL3MBTL1MEN1ALDH1A1
SCHEMBL15922771 0.94 GAA (0.38) IDO1GAAL3MBTL1MEN1ALDH1A1
SCHEMBL16322078 0.94 GAA (0.38) IDO1GAAL3MBTL1MEN1ALDH1A1
SCHEMBL29157510 0.84 SLC6A4 (0.33) GAAALDH1A1MAPK1
SCHEMBL29157524 0.84 SLC6A4 (0.33) GAAALDH1A1MAPK1
SCHEMBL20474746 0.84 SLC6A4 (0.33) GAAALDH1A1MAPK1
SCHEMBL20474747 0.84 SLC6A4 (0.33) GAAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2023-06-01 US disclosed
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2023-06-01 US disclosed
US-20210346379-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2021-11-11 US disclosed
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2020-09-24 US disclosed
US-20170281626-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2017-10-05 US disclosed
US-20170281626-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2017-10-05 US disclosed
US-9585883-B2 Pyrimidinedione compounds MyoKardia, Inc. (US) 2017-03-07 US disclosed
US-9585883-B2 Pyrimidinedione compounds MyoKardia, Inc. (US) 2017-03-07 US disclosed
US-20160030428-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-02-04 US disclosed
US-9181200-B2 Pyrimidinedione compounds MyoKardia, Inc. (US) 2015-11-10 US disclosed
US-20140378464-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2014-12-25 US disclosed
WO-2014205223-A1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MyoKardia, Inc. (US) 2014-12-24 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 (6 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-20210346379-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD KCNA5 3844/4885IDO1 3012/4885GAA 1172/4885
US-20140378464-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD KCNA5 3844/4885IDO1 3012/4885GAA 1172/4885
US-20160030428-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD KCNA5 3844/4885IDO1 3012/4885GAA 1172/4885
US-20170281626-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD KCNA5 3844/4885IDO1 3012/4885GAA 1172/4885
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD KCNA5 3844/4885IDO1 3012/4885GAA 1172/4885
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD KCNA5 3844/4885IDO1 3012/4885GAA 1172/4885

“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.