SCHEMBL19205217

SCHEMBL19205217

CC(C)(C)OC(=O)Nc1ccc(C(=O)O)c(F)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.39
SORT1 Q99523 8/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
PSMB8 P28062 1/20 0.37
SCN9A Q15858 1/20 0.36
CYP17A1 P05093 2/20 0.36
MAPT P10636 1/20 0.35
LCK P06239 2/20 0.35

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
SCHEMBL15060517 0.89 ATR (0.39) ATRMEN1NPC1GAARAB9A
SCHEMBL38663529 0.87 ATR (0.49) ATRMEN1NPC1GAARAB9A
SCHEMBL38661717 0.87 ATR (0.49) ATRMEN1NPC1GAARAB9A
SCHEMBL16753281 0.85 POLB (0.39) SORT1MEN1KMT2A
SCHEMBL24427294 0.85 PRMT1 (0.38) ATRMEN1NPC1GAARAB9A
Acetic Acid SCHEMBL29863168 0.84 PRMT1 (0.36) ATRMEN1NPC1GAARAB9A
SCHEMBL7406307 0.84 GABRP (0.45) ATRSORT1MEN1NPC1GAA
SCHEMBL24427232 0.84 AKT1 (0.36) ATRGSK3BDYRK1ASCN9ACYP17A1
SCHEMBL24726508 0.84 ATR (0.38) ATRMEN1NPC1GAARAB9A
Hydrochloric Acid SCHEMBL29863034 0.84 PRMT1 (0.38) ATRMEN1NPC1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 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 (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-20170305917-A1 COMPOUNDS F11, F12, F10 ATR 4769/4885SORT1 1671/4885MEN1 439/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 ATR 4304/4885SORT1 3246/4885MEN1 1221/4885

“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.