SCHEMBL513618

SCHEMBL513618

CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 16/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NR1H3 Q13133 4/20 0.37
TRPV3 Q8NET8 1/20 0.33

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
SCHEMBL31601069 1.00 NR1H2 (0.38) NR1H2CA12CA9NR1H3TRPV3
SCHEMBL29643728 0.90 NR1H2 (0.45) NR1H2CA12CA9NR1H3
SCHEMBL594560 0.90 NR1H2 (0.45) NR1H2CA12CA9NR1H3
SCHEMBL29955923 0.85 NR1H2 (0.43) NR1H2CA12CA9NR1H3
SCHEMBL594086 0.85 NR1H2 (0.43) NR1H2CA12CA9NR1H3
SCHEMBL3249850 0.85 NR1H2 (0.38) NR1H2CA12CA9NR1H3
SCHEMBL29951847 0.84 NR1H2 (0.38) NR1H2CA12CA9NR1H3
SCHEMBL15727386 0.84 USP30 (0.43) NR1H2CA12CA9NR1H3
SCHEMBL1605189 0.84 NR1H2 (0.38) NR1H2CA12CA9NR1H3
SCHEMBL513258 0.83 NR1H2 (0.45) NR1H2CA12CA9NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT TRINEURO (KR) 2023-07-06 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20210395256-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-12-23 US disclosed
WO-2020114499-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-06-11 WO disclosed
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US disclosed
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 WO disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 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 (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-20210395256-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF ABL1, LCK, ERBB2 NR1H2 1012/4885CA12 4132/4885CA9 2507/4885
US-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 NR1H2 784/4885CA12 3948/4885CA9 2744/4885
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 NR1H2 1792/4885CA12 3796/4885CA9 3775/4885
US-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT HTR5A, HTR2C, TPH1 NR1H2 1642/4885CA12 4877/4885CA9 4838/4885

“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.